2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19N9O — CID 90199957

IUPAC2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CCc1cnc2c(C(=O)Nc3cnccc3N3CCNCC3)c(N)nn2c1
InChIInChI=1S/C18H19N9O/c19-3-1-12-9-23-17-15(16(20)25-27(17)11-12)18(28)24-13-10-22-4-2-14(13)26-7-5-21-6-8-26/h2,4,9-11,21H,1,5-8H2,(H2,20,25)(H,24,28)
InChIKeyZHCYHMWYYTVBHR-UHFFFAOYSA-N
MW377.41 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199957) has the molecular formula C18H19N9O and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199957
Molecular FormulaC18H19N9O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CCc1cnc2c(C(=O)Nc3cnccc3N3CCNCC3)c(N)nn2c1
InChIInChI=1S/C18H19N9O/c19-3-1-12-9-23-17-15(16(20)25-27(17)11-12)18(28)24-13-10-22-4-2-14(13)26-7-5-21-6-8-26/h2,4,9-11,21H,1,5-8H2,(H2,20,25)(H,24,28)
InChIKeyZHCYHMWYYTVBHR-UHFFFAOYSA-N
XLogP0.43
TPSA137.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74763446
2-amino-6-(2-cyanopropan-2-yl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199868
2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 86720892
2-amino-6-fluoro-N-[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199894
2-amino-6-fluoro-N-[3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448292
2-amino-6-fluoro-N-[4-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200157
2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199600
N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199012
N-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199013
2-amino-6-fluoro-N-[4-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199450
N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200052
2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199457

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199957) is 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#CCc1cnc2c(C(=O)Nc3cnccc3N3CCNCC3)c(N)nn2c1.
What is the InChIKey of 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZHCYHMWYYTVBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O/c19-3-1-12-9-23-17-15(16(20)25-27(17)11-12)18(28)24-13-10-22-4-2-14(13)26-7-5-21-6-8-26/h2,4,9-11,21H,1,5-8H2,(H2,20,25)(H,24,28).
What are the key properties of 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).