(6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone

C164H180F24N28O13 — CID 163963647

IUPAC(6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESC=C1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CN1C.C=C1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2CN1.CC1(C)Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CO1.CN1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CC1=O.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CC(C)(C)OC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CN1
InChIInChI=1S/C22H26F3N3O2.C21H23F3N4O.C21H24F3N3O2.C21H24F3N3O.C20H21F3N4O2.C20H21F3N4O.C20H22F3N3O2.C19H19F3N4O2/c1-21(2)12-18-16(13-30-21)19(26-27(18)3)20(29)28-10-8-14(9-11-28)15-6-4-5-7-17(15)22(23,24)25;1-13-11-18-16(12-27(13)2)19(26-25-18)20(29)28-9-7-14(8-10-28)15-5-3-4-6-17(15)21(22,23)24;1-20(2)11-17-15(12-29-20)18(26-25-17)19(28)27-9-7-13(8-10-27)14-5-3-4-6-16(14)21(22,23)24;1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;1-26-11-16-14(10-17(26)28)18(25-24-16)19(29)27-8-6-12(7-9-27)13-4-2-3-5-15(13)20(21,22)23;1-12-10-15-17(11-24-12)25-26-18(15)19(28)27-8-6-13(7-9-27)14-4-2-3-5-16(14)20(21,22)23;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;20-19(21,22)14-4-2-1-3-12(14)11-5-7-26(8-6-11)18(28)17-13-10-23-16(27)9-15(13)24-25-17/h4-7,14H,8-13H2,1-3H3;3-6,14H,1,7-12H2,2H3,(H,25,26);3-6,13H,7-12H2,1-2H3,(H,25,26);2,4,6,8,14H,3,5,7,9-13H2,1H3;2-5,12H,6-11H2,1H3,(H,24,25);2-5,13,24H,1,6-11H2,(H,25,26);2-5,13H,6-12H2,1H3;1-4,11H,5-10H2,(H,23,27)(H,24,25)
InChIKeySJSJDYOSLAOOLT-UHFFFAOYSA-N
MW3207.38 g/mol
LogP29.62
Rot. Bonds16

About (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone

(6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone (PubChem CID 163963647) has the molecular formula C164H180F24N28O13 and a molecular weight of 3207.38 g/mol. Its IUPAC name is (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone
PubChem CID163963647
Molecular FormulaC164H180F24N28O13
Molecular Weight3207.38 g/mol
Exact Mass3205.39
IUPAC Name(6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESC=C1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CN1C.C=C1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2CN1.CC1(C)Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CO1.CN1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CC1=O.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CC(C)(C)OC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CN1
InChIInChI=1S/C22H26F3N3O2.C21H23F3N4O.C21H24F3N3O2.C21H24F3N3O.C20H21F3N4O2.C20H21F3N4O.C20H22F3N3O2.C19H19F3N4O2/c1-21(2)12-18-16(13-30-21)19(26-27(18)3)20(29)28-10-8-14(9-11-28)15-6-4-5-7-17(15)22(23,24)25;1-13-11-18-16(12-27(13)2)19(26-25-18)20(29)28-9-7-14(8-10-28)15-5-3-4-6-17(15)21(22,23)24;1-20(2)11-17-15(12-29-20)18(26-25-17)19(28)27-9-7-13(8-10-27)14-5-3-4-6-16(14)21(22,23)24;1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;1-26-11-16-14(10-17(26)28)18(25-24-16)19(29)27-8-6-12(7-9-27)13-4-2-3-5-15(13)20(21,22)23;1-12-10-15-17(11-24-12)25-26-18(15)19(28)27-8-6-13(7-9-27)14-4-2-3-5-16(14)20(21,22)23;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;20-19(21,22)14-4-2-1-3-12(14)11-5-7-26(8-6-11)18(28)17-13-10-23-16(27)9-15(13)24-25-17/h4-7,14H,8-13H2,1-3H3;3-6,14H,1,7-12H2,2H3,(H,25,26);3-6,13H,7-12H2,1-2H3,(H,25,26);2,4,6,8,14H,3,5,7,9-13H2,1H3;2-5,12H,6-11H2,1H3,(H,24,25);2-5,13,24H,1,6-11H2,(H,25,26);2-5,13H,6-12H2,1H3;1-4,11H,5-10H2,(H,23,27)(H,24,25)
InChIKeySJSJDYOSLAOOLT-UHFFFAOYSA-N
XLogP29.62
TPSA451.71 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003207.38
LogP ≤ 529.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone?
The IUPAC name of (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone (CID 163963647) is (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone.
What is the SMILES notation for (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone?
The canonical SMILES for (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone is C=C1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CN1C.C=C1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2CN1.CC1(C)Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CO1.CN1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CC1=O.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CC(C)(C)OC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2CN1.
What is the InChIKey of (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone?
The InChIKey is SJSJDYOSLAOOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2.C21H23F3N4O.C21H24F3N3O2.C21H24F3N3O.C20H21F3N4O2.C20H21F3N4O.C20H22F3N3O2.C19H19F3N4O2/c1-21(2)12-18-16(13-30-21)19(26-27(18)3)20(29)28-10-8-14(9-11-28)15-6-4-5-7-17(15)22(23,24)25;1-13-11-18-16(12-27(13)2)19(26-25-18)20(29)28-9-7-14(8-10-28)15-5-3-4-6-17(15)21(22,23)24;1-20(2)11-17-15(12-29-20)18(26-25-17)19(28)27-9-7-13(8-10-27)14-5-3-4-6-16(14)21(22,23)24;1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;1-26-11-16-14(10-17(26)28)18(25-24-16)19(29)27-8-6-12(7-9-27)13-4-2-3-5-15(13)20(21,22)23;1-12-10-15-17(11-24-12)25-26-18(15)19(28)27-8-6-13(7-9-27)14-4-2-3-5-16(14)20(21,22)23;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;20-19(21,22)14-4-2-1-3-12(14)11-5-7-26(8-6-11)18(28)17-13-10-23-16(27)9-15(13)24-25-17/h4-7,14H,8-13H2,1-3H3;3-6,14H,1,7-12H2,2H3,(H,25,26);3-6,13H,7-12H2,1-2H3,(H,25,26);2,4,6,8,14H,3,5,7,9-13H2,1H3;2-5,12H,6-11H2,1H3,(H,24,25);2-5,13,24H,1,6-11H2,(H,25,26);2-5,13H,6-12H2,1H3;1-4,11H,5-10H2,(H,23,27)(H,24,25).
What are the key properties of (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone?
(6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone has a molecular weight of 3207.38 g/mol, XLogP of 29.62, 16 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methylidene-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-6-methylidene-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[4,3-c]pyridin-6-one;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,6,6-trimethyl-4,7-dihydropyrano[4,3-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 163963647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).