6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C82H75F15N18O12 — CID 158064369

IUPAC6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)COCC3O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3O)cnn2c1.Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1(C)O.O=C(NC1(c2ccc(C(F)(F)F)cc2F)COCC1O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C23H23F4N5O3.C21H18F4N4O3.C19H16F4N4O3.C19H18F3N5O3/c1-12-17(19-29-8-14(13-3-4-13)10-32(19)31-12)20(33)30-22(5-6-35-11-21(22,2)34)18-16(24)7-15(9-28-18)23(25,26)27;22-16-5-13(21(23,24)25)3-4-15(16)20(10-32-9-17(20)30)28-19(31)14-7-27-29-8-12(11-1-2-11)6-26-18(14)29;1-10-5-24-16-12(6-25-27(16)7-10)17(29)26-18(9-30-8-15(18)28)13-3-2-11(4-14(13)20)19(21,22)23;1-11-6-24-16-13(8-25-27(16)9-11)17(29)26-18(4-5-30-10-15(18)28)14-3-2-12(7-23-14)19(20,21)22/h7-10,13,34H,3-6,11H2,1-2H3,(H,30,33);3-8,11,17,30H,1-2,9-10H2,(H,28,31);2-7,15,28H,8-9H2,1H3,(H,26,29);2-3,6-9,15,28H,4-5,10H2,1H3,(H,26,29)
InChIKeyFLATUJLWXNJKJK-UHFFFAOYSA-N
MW1789.59 g/mol
LogP10.12
Rot. Bonds14

About 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158064369) has the molecular formula C82H75F15N18O12 and a molecular weight of 1789.59 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158064369
Molecular FormulaC82H75F15N18O12
Molecular Weight1789.59 g/mol
Exact Mass1788.56
IUPAC Name6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)COCC3O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3O)cnn2c1.Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1(C)O.O=C(NC1(c2ccc(C(F)(F)F)cc2F)COCC1O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C23H23F4N5O3.C21H18F4N4O3.C19H16F4N4O3.C19H18F3N5O3/c1-12-17(19-29-8-14(13-3-4-13)10-32(19)31-12)20(33)30-22(5-6-35-11-21(22,2)34)18-16(24)7-15(9-28-18)23(25,26)27;22-16-5-13(21(23,24)25)3-4-15(16)20(10-32-9-17(20)30)28-19(31)14-7-27-29-8-12(11-1-2-11)6-26-18(14)29;1-10-5-24-16-12(6-25-27(16)7-10)17(29)26-18(9-30-8-15(18)28)13-3-2-11(4-14(13)20)19(21,22)23;1-11-6-24-16-13(8-25-27(16)9-11)17(29)26-18(4-5-30-10-15(18)28)14-3-2-12(7-23-14)19(20,21)22/h7-10,13,34H,3-6,11H2,1-2H3,(H,30,33);3-8,11,17,30H,1-2,9-10H2,(H,28,31);2-7,15,28H,8-9H2,1H3,(H,26,29);2-3,6-9,15,28H,4-5,10H2,1H3,(H,26,29)
InChIKeyFLATUJLWXNJKJK-UHFFFAOYSA-N
XLogP10.12
TPSA380.78 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001789.59
LogP ≤ 510.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

US10023575, Example 90a
CID 126763820
US10023575, Example 65
CID 126763822
US10875867, Example 90b
CID 135224311
US10875867, Example 90a
CID 156023207
US11691977, Example 90a
CID 168474831
US11691977, Example 90b
CID 168474832
6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126763813
6-cyclopropyl-N-[(3R,4R)-3-hydroxy-4-[5-(trifluoromethyl)pyridin-2-yl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135224314
6-cyclopropyl-N-[(3S,4S)-3-hydroxy-4-[5-(trifluoromethyl)pyridin-2-yl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135224319
6-cyclopropyl-N-[(3S,4S)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146258244
6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157207969
1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 157514136

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158064369) is 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)COCC3O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3O)cnn2c1.Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1(C)O.O=C(NC1(c2ccc(C(F)(F)F)cc2F)COCC1O)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FLATUJLWXNJKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O3.C21H18F4N4O3.C19H16F4N4O3.C19H18F3N5O3/c1-12-17(19-29-8-14(13-3-4-13)10-32(19)31-12)20(33)30-22(5-6-35-11-21(22,2)34)18-16(24)7-15(9-28-18)23(25,26)27;22-16-5-13(21(23,24)25)3-4-15(16)20(10-32-9-17(20)30)28-19(31)14-7-27-29-8-12(11-1-2-11)6-26-18(14)29;1-10-5-24-16-12(6-25-27(16)7-10)17(29)26-18(9-30-8-15(18)28)13-3-2-11(4-14(13)20)19(21,22)23;1-11-6-24-16-13(8-25-27(16)9-11)17(29)26-18(4-5-30-10-15(18)28)14-3-2-12(7-23-14)19(20,21)22/h7-10,13,34H,3-6,11H2,1-2H3,(H,30,33);3-8,11,17,30H,1-2,9-10H2,(H,28,31);2-7,15,28H,8-9H2,1H3,(H,26,29);2-3,6-9,15,28H,4-5,10H2,1H3,(H,26,29).
What are the key properties of 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1789.59 g/mol, XLogP of 10.12, 14 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158064369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).