N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N7O — CID 124985983

IUPACN-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c([C@H]3CCCN(c4cc(C)ncn4)C3)ccnc12
InChIInChI=1S/C18H21N7O/c1-12-8-16(22-11-21-12)24-7-3-4-13(10-24)15-5-6-20-17-14(18(26)19-2)9-23-25(15)17/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,26)/t13-/m0/s1
InChIKeyNVKKOIUBCXTICU-ZDUSSCGKSA-N
MW351.41 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124985983) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124985983
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c([C@H]3CCCN(c4cc(C)ncn4)C3)ccnc12
InChIInChI=1S/C18H21N7O/c1-12-8-16(22-11-21-12)24-7-3-4-13(10-24)15-5-6-20-17-14(18(26)19-2)9-23-25(15)17/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,26)/t13-/m0/s1
InChIKeyNVKKOIUBCXTICU-ZDUSSCGKSA-N
XLogP1.57
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(1-acetylpiperidin-3-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101018
N-methyl-7-[(3R)-1-propanoylpiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124974777
N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110597
N-methyl-7-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124964829
N,N-dimethyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101042
N-methyl-7-[(3S)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124987425
N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 125025536
N-methyl-7-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110110592
7-(1-cyclopentylpiperidin-3-yl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131673277
7-[(3R)-1-cyclopentylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125020255
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
N,N-dimethyl-7-[(3S)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125023570

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124985983) is N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c([C@H]3CCCN(c4cc(C)ncn4)C3)ccnc12.
What is the InChIKey of N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NVKKOIUBCXTICU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12-8-16(22-11-21-12)24-7-3-4-13(10-24)15-5-6-20-17-14(18(26)19-2)9-23-25(15)17/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,19,26)/t13-/m0/s1.
What are the key properties of N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124985983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).