N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H26N6O — CID 66677712

IUPACN-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1cccnc1)c1ccn2ncc(C(=O)NC3CCC(C)(C)CC3)c2n1
InChIInChI=1S/C21H26N6O/c1-21(2)9-6-15(7-10-21)24-20(28)17-14-23-27-12-8-18(25-19(17)27)26(3)16-5-4-11-22-13-16/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,24,28)
InChIKeyBAJLBWNPBRHYPU-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.59
Rot. Bonds4

About N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66677712) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66677712
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1cccnc1)c1ccn2ncc(C(=O)NC3CCC(C)(C)CC3)c2n1
InChIInChI=1S/C21H26N6O/c1-21(2)9-6-15(7-10-21)24-20(28)17-14-23-27-12-8-18(25-19(17)27)26(3)16-5-4-11-22-13-16/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,24,28)
InChIKeyBAJLBWNPBRHYPU-UHFFFAOYSA-N
XLogP3.59
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 66677001
N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677604
methyl 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 58063032
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063200
4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]piperidine-1-carboxylic acid
CID 123188164
5-(pyridin-3-ylmethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 76683038
5-[methyl(pyridin-2-yl)amino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677801
5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063413
N-(4,4-difluorocyclohexyl)-5-[(4-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063436
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063058
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171356498

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66677712) is N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(c1cccnc1)c1ccn2ncc(C(=O)NC3CCC(C)(C)CC3)c2n1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BAJLBWNPBRHYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-21(2)9-6-15(7-10-21)24-20(28)17-14-23-27-12-8-18(25-19(17)27)26(3)16-5-4-11-22-13-16/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,24,28).
What are the key properties of N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66677712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).