N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19N7O — CID 122516555

IUPACN-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C19H19N7O/c20-10-13-4-1-2-6-16(13)24-19(27)15-12-22-26-9-7-17(25-18(15)26)23-14-5-3-8-21-11-14/h1-2,4,6-7,9,12,14,21H,3,5,8,11H2,(H,23,25)(H,24,27)/t14-/m1/s1
InChIKeyJMSIIQYJVOGZSG-CQSZACIVSA-N
MW361.41 g/mol
LogP2.02
Rot. Bonds4

About N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122516555) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122516555
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C19H19N7O/c20-10-13-4-1-2-6-16(13)24-19(27)15-12-22-26-9-7-17(25-18(15)26)23-14-5-3-8-21-11-14/h1-2,4,6-7,9,12,14,21H,3,5,8,11H2,(H,23,25)(H,24,27)/t14-/m1/s1
InChIKeyJMSIIQYJVOGZSG-CQSZACIVSA-N
XLogP2.02
TPSA107.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(azepan-3-ylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516502
5-[[(3S)-azepan-3-yl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516636
N-(2-cyanophenyl)-2-[[(3R)-piperidin-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134263672
5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516649
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516563
5-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516681
5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063413
N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451336
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542279
5-(2,3-dihydro-1H-inden-2-ylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063497
N-(4-cyanothiophen-3-yl)-5-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263144
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280815

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122516555) is N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1ccccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JMSIIQYJVOGZSG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N7O/c20-10-13-4-1-2-6-16(13)24-19(27)15-12-22-26-9-7-17(25-18(15)26)23-14-5-3-8-21-11-14/h1-2,4,6-7,9,12,14,21H,3,5,8,11H2,(H,23,25)(H,24,27)/t14-/m1/s1.
What are the key properties of N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122516555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).