N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H22N8O — CID 91774262

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3cc4ncccn4n3)C2)n1C
InChIInChI=1S/C17H22N8O/c1-23(2)10-15-20-21-16(24(15)3)11-7-12(8-11)19-17(26)13-9-14-18-5-4-6-25(14)22-13/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,26)
InChIKeyRFSPRNJMZSMRPL-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.60
Rot. Bonds5

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91774262) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91774262
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3cc4ncccn4n3)C2)n1C
InChIInChI=1S/C17H22N8O/c1-23(2)10-15-20-21-16(24(15)3)11-7-12(8-11)19-17(26)13-9-14-18-5-4-6-25(14)22-13/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,26)
InChIKeyRFSPRNJMZSMRPL-UHFFFAOYSA-N
XLogP0.60
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US10155765, Example 31
CID 121493987
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181626
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(3-aminopropyl)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181592
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181623
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181625
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 141505852
N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 165130041
4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide
CID 165414964
N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
CID 57392406
5-[[(1S,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181624

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 91774262) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(C)Cc1nnc(C2CC(NC(=O)c3cc4ncccn4n3)C2)n1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RFSPRNJMZSMRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-23(2)10-15-20-21-16(24(15)3)11-7-12(8-11)19-17(26)13-9-14-18-5-4-6-25(14)22-13/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,26).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91774262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).