tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

C75H97ClF3N15O5 — CID 165001798

About tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 165001798) has the molecular formula C75H97ClF3N15O5 and a molecular weight of 1381.15 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
• PubChem CID: 165001798
• Molecular Formula: C75H97ClF3N15O5
• Molecular Weight: 1381.15 g/mol
• Exact Mass: 1379.74
• IUPAC Name: tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
• SMILES: C.Cc1cc(F)cc(Cc2cc(N[C@@H]3CCC[C@@H](O)C3)nc3c(C4CCC4)cnn23)c1.Cc1cc(F)cc(N(C(=O)OC(C)(C)C)c2cc(Cl)nc3c(C4CCC4)cnn23)c1.Cc1cc(F)cc(Nc2cc(N[C@@H]3CNC[C@@H](O)C3)nc3c(C4CCC4)cnn23)c1.N[C@@H]1CCC[C@@H](O)C1
• InChI: InChI=1S/C24H29FN4O.C22H24ClFN4O2.C22H27FN6O.C6H13NO.CH4/c1-15-8-16(10-18(25)9-15)11-20-13-23(27-19-6-3-7-21(30)12-19)28-24-22(14-26-29(20)24)17-4-2-5-17;1-13-8-15(24)10-16(9-13)27(21(29)30-22(2,3)4)19-11-18(23)26-20-17(12-25-28(19)20)14-6-5-7-14;1-13-5-15(23)7-16(6-13)27-21-9-20(26-17-8-18(30)11-24-10-17)28-22-19(12-25-29(21)22)14-3-2-4-14;7-5-2-1-3-6(8)4-5;/h8-10,13-14,17,19,21,30H,2-7,11-12H2,1H3,(H,27,28);8-12,14H,5-7H2,1-4H3;5-7,9,12,14,17-18,24,27,30H,2-4,8,10-11H2,1H3,(H,26,28);5-6,8H,1-4,7H2;1H4/t19-,21-;;17-,18-;5-,6-;/m1.01./s1
• InChIKey: IJDVDWMRGOBXQD-ZXJKETGMSA-N
• XLogP: 15.13
• TPSA: 254.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1381.15
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?

The IUPAC name of tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 165001798) is tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?

The canonical SMILES for tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is C.Cc1cc(F)cc(Cc2cc(N[C@@H]3CCC[C@@H](O)C3)nc3c(C4CCC4)cnn23)c1.Cc1cc(F)cc(N(C(=O)OC(C)(C)C)c2cc(Cl)nc3c(C4CCC4)cnn23)c1.Cc1cc(F)cc(Nc2cc(N[C@@H]3CNC[C@@H](O)C3)nc3c(C4CCC4)cnn23)c1.N[C@@H]1CCC[C@@H](O)C1.

What is the InChIKey of tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?

The InChIKey is IJDVDWMRGOBXQD-ZXJKETGMSA-N. The full InChI is InChI=1S/C24H29FN4O.C22H24ClFN4O2.C22H27FN6O.C6H13NO.CH4/c1-15-8-16(10-18(25)9-15)11-20-13-23(27-19-6-3-7-21(30)12-19)28-24-22(14-26-29(20)24)17-4-2-5-17;1-13-8-15(24)10-16(9-13)27(21(29)30-22(2,3)4)19-11-18(23)26-20-17(12-25-28(19)20)14-6-5-7-14;1-13-5-15(23)7-16(6-13)27-21-9-20(26-17-8-18(30)11-24-10-17)28-22-19(12-25-29(21)22)14-3-2-4-14;7-5-2-1-3-6(8)4-5;/h8-10,13-14,17,19,21,30H,2-7,11-12H2,1H3,(H,27,28);8-12,14H,5-7H2,1-4H3;5-7,9,12,14,17-18,24,27,30H,2-4,8,10-11H2,1H3,(H,26,28);5-6,8H,1-4,7H2;1H4/t19-,21-;;17-,18-;5-,6-;/m1.01./s1.

What are the key properties of tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?

tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 1381.15 g/mol, XLogP of 15.13, 13 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 165001798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).