N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide

C32H31N9O2 — CID 67295150

IUPACN-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1c(C2CC2)c(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C32H31N9O2/c1-18(42)37-31-27(20-7-8-20)28(22-13-23-10-11-24(14-22)40(23)32(43)29-34-17-35-39-29)38-30-25(16-36-41(30)31)21-9-12-26(33-15-21)19-5-3-2-4-6-19/h2-6,9,12,15-17,20,22-24H,7-8,10-11,13-14H2,1H3,(H,37,42)(H,34,35,39)/t22?,23-,24+
InChIKeyJBJQRVINXBEYBL-CWAQXLGLSA-N
MW573.66 g/mol
LogP4.96
Rot. Bonds6

About N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide

N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide (PubChem CID 67295150) has the molecular formula C32H31N9O2 and a molecular weight of 573.66 g/mol. Its IUPAC name is N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide.

Molecular Properties

Compound NameN-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide
PubChem CID67295150
Molecular FormulaC32H31N9O2
Molecular Weight573.66 g/mol
Exact Mass573.26
IUPAC NameN-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1c(C2CC2)c(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C32H31N9O2/c1-18(42)37-31-27(20-7-8-20)28(22-13-23-10-11-24(14-22)40(23)32(43)29-34-17-35-39-29)38-30-25(16-36-41(30)31)21-9-12-26(33-15-21)19-5-3-2-4-6-19/h2-6,9,12,15-17,20,22-24H,7-8,10-11,13-14H2,1H3,(H,37,42)(H,34,35,39)/t22?,23-,24+
InChIKeyJBJQRVINXBEYBL-CWAQXLGLSA-N
XLogP4.96
TPSA134.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.66
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide with MolForge

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
[(1S,5R)-3-[10-[6-(1H-imidazol-2-yl)-3-pyridinyl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136259916
[(1S,5R)-3-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136259917
[(1R,5S)-3-[8-amino-3-(6-phenyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 71481184
[(1S,5R)-3-[10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136240948
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-[3-(1H-indazol-4-yl)-2-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-, ethyl ester
CID 44227053
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 44597166
1-(3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 45486184
ethyl 3-(3-(1H-indazol-4-yl)-6-methyl-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 45486212
3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 45486223
3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 45486225
1-(3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octan-8-yl)propan-2-one
CID 45486226

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide?
The IUPAC name of N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide (CID 67295150) is N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide.
What is the SMILES notation for N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide?
The canonical SMILES for N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide is CC(=O)Nc1c(C2CC2)c(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide?
The InChIKey is JBJQRVINXBEYBL-CWAQXLGLSA-N. The full InChI is InChI=1S/C32H31N9O2/c1-18(42)37-31-27(20-7-8-20)28(22-13-23-10-11-24(14-22)40(23)32(43)29-34-17-35-39-29)38-30-25(16-36-41(30)31)21-9-12-26(33-15-21)19-5-3-2-4-6-19/h2-6,9,12,15-17,20,22-24H,7-8,10-11,13-14H2,1H3,(H,37,42)(H,34,35,39)/t22?,23-,24+.
What are the key properties of N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide?
N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide has a molecular weight of 573.66 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 67295150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).