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

C19H21N9O — CID 74763446

IUPAC2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(CC#N)cnc23)CC1
InChIInChI=1S/C19H21N9O/c1-26-6-8-27(9-7-26)15-3-5-22-11-14(15)24-19(29)16-17(21)25-28-12-13(2-4-20)10-23-18(16)28/h3,5,10-12H,2,6-9H2,1H3,(H2,21,25)(H,24,29)
InChIKeyLCLGGTAWXZVEHP-UHFFFAOYSA-N
MW391.44 g/mol
LogP0.78
Rot. Bonds4

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

2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 74763446) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID74763446
Molecular FormulaC19H21N9O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(CC#N)cnc23)CC1
InChIInChI=1S/C19H21N9O/c1-26-6-8-27(9-7-26)15-3-5-22-11-14(15)24-19(29)16-17(21)25-28-12-13(2-4-20)10-23-18(16)28/h3,5,10-12H,2,6-9H2,1H3,(H2,21,25)(H,24,29)
InChIKeyLCLGGTAWXZVEHP-UHFFFAOYSA-N
XLogP0.78
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-6-(cyanomethyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199957
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-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 86720900
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
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-[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-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-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200157
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-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 74763446) is 2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(CC#N)cnc23)CC1.
What is the InChIKey of 2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LCLGGTAWXZVEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O/c1-26-6-8-27(9-7-26)15-3-5-22-11-14(15)24-19(29)16-17(21)25-28-12-13(2-4-20)10-23-18(16)28/h3,5,10-12H,2,6-9H2,1H3,(H2,21,25)(H,24,29).
What are the key properties of 2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 74763446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).