N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22N6O2 — CID 58063200

IUPACN-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn2ccc(NCc3cccnc3)nc12
InChIInChI=1S/C19H22N6O2/c26-15-5-3-14(4-6-15)23-19(27)16-12-22-25-9-7-17(24-18(16)25)21-11-13-2-1-8-20-10-13/h1-2,7-10,12,14-15,26H,3-6,11H2,(H,21,24)(H,23,27)
InChIKeyAGWFAULIPCEACM-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.77
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063200) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063200
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn2ccc(NCc3cccnc3)nc12
InChIInChI=1S/C19H22N6O2/c26-15-5-3-14(4-6-15)23-19(27)16-12-22-25-9-7-17(24-18(16)25)21-11-13-2-1-8-20-10-13/h1-2,7-10,12,14-15,26H,3-6,11H2,(H,21,24)(H,23,27)
InChIKeyAGWFAULIPCEACM-UHFFFAOYSA-N
XLogP1.77
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 58063032
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
N-(4-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063211
N-(3-hydroxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063125
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171356498
N-(4,4-difluorocyclohexyl)-5-[(4-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063436
5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
N-(3-carbamoylphenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677517
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
N-(4,4-dimethylcyclohexyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677712
N-(4,4-difluorocyclohexyl)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162543572

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063200) is N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC(O)CC1)c1cnn2ccc(NCc3cccnc3)nc12.
What is the InChIKey of N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AGWFAULIPCEACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-15-5-3-14(4-6-15)23-19(27)16-12-22-25-9-7-17(24-18(16)25)21-11-13-2-1-8-20-10-13/h1-2,7-10,12,14-15,26H,3-6,11H2,(H,21,24)(H,23,27).
What are the key properties of N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).