[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone

C65H71F15N12O3 — CID 157397231

IUPAC[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESCCCN1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1.CN1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1.O=C(c1n[nH]c2c1CCN(CC1CC1)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
InChIInChI=1S/C23H25F5N4O.C22H25F5N4O.C20H21F5N4O/c24-17-4-3-15(19(20(17)25)23(26,27)28)14-5-9-32(10-6-14)22(33)21-16-7-8-31(11-13-1-2-13)12-18(16)29-30-21;1-2-8-30-9-7-15-17(12-30)28-29-20(15)21(32)31-10-5-13(6-11-31)14-3-4-16(23)19(24)18(14)22(25,26)27;1-28-7-6-13-15(10-28)26-27-18(13)19(30)29-8-4-11(5-9-29)12-2-3-14(21)17(22)16(12)20(23,24)25/h3-4,13-14H,1-2,5-12H2,(H,29,30);3-4,13H,2,5-12H2,1H3,(H,28,29);2-3,11H,4-10H2,1H3,(H,26,27)
InChIKeyBMSDEDFJCRTYJI-UHFFFAOYSA-N
MW1353.33 g/mol
LogP12.70
Rot. Bonds10

About [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone

[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone (PubChem CID 157397231) has the molecular formula C65H71F15N12O3 and a molecular weight of 1353.33 g/mol. Its IUPAC name is [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone
PubChem CID157397231
Molecular FormulaC65H71F15N12O3
Molecular Weight1353.33 g/mol
Exact Mass1352.55
IUPAC Name[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESCCCN1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1.CN1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1.O=C(c1n[nH]c2c1CCN(CC1CC1)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
InChIInChI=1S/C23H25F5N4O.C22H25F5N4O.C20H21F5N4O/c24-17-4-3-15(19(20(17)25)23(26,27)28)14-5-9-32(10-6-14)22(33)21-16-7-8-31(11-13-1-2-13)12-18(16)29-30-21;1-2-8-30-9-7-15-17(12-30)28-29-20(15)21(32)31-10-5-13(6-11-31)14-3-4-16(23)19(24)18(14)22(25,26)27;1-28-7-6-13-15(10-28)26-27-18(13)19(30)29-8-4-11(5-9-29)12-2-3-14(21)17(22)16(12)20(23,24)25/h3-4,13-14H,1-2,5-12H2,(H,29,30);3-4,13H,2,5-12H2,1H3,(H,28,29);2-3,11H,4-10H2,1H3,(H,26,27)
InChIKeyBMSDEDFJCRTYJI-UHFFFAOYSA-N
XLogP12.70
TPSA156.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.33
LogP ≤ 512.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone?
The IUPAC name of [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone (CID 157397231) is [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone.
What is the SMILES notation for [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone?
The canonical SMILES for [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone is CCCN1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1.CN1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1.O=C(c1n[nH]c2c1CCN(CC1CC1)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.
What is the InChIKey of [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone?
The InChIKey is BMSDEDFJCRTYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F5N4O.C22H25F5N4O.C20H21F5N4O/c24-17-4-3-15(19(20(17)25)23(26,27)28)14-5-9-32(10-6-14)22(33)21-16-7-8-31(11-13-1-2-13)12-18(16)29-30-21;1-2-8-30-9-7-15-17(12-30)28-29-20(15)21(32)31-10-5-13(6-11-31)14-3-4-16(23)19(24)18(14)22(25,26)27;1-28-7-6-13-15(10-28)26-27-18(13)19(30)29-8-4-11(5-9-29)12-2-3-14(21)17(22)16(12)20(23,24)25/h3-4,13-14H,1-2,5-12H2,(H,29,30);3-4,13H,2,5-12H2,1H3,(H,28,29);2-3,11H,4-10H2,1H3,(H,26,27).
What are the key properties of [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone?
[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone has a molecular weight of 1353.33 g/mol, XLogP of 12.70, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-propyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone is sourced from PubChem (CID 157397231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).