N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H22N6O — CID 66677604

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1cccnc1)c1ccn2ncc(C(=O)NC3CC4CCC3C4)c2n1
InChIInChI=1S/C20H22N6O/c1-25(15-3-2-7-21-11-15)18-6-8-26-19(24-18)16(12-22-26)20(27)23-17-10-13-4-5-14(17)9-13/h2-3,6-8,11-14,17H,4-5,9-10H2,1H3,(H,23,27)
InChIKeyJXLRIKXDAHOOBX-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.81
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66677604) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66677604
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1cccnc1)c1ccn2ncc(C(=O)NC3CC4CCC3C4)c2n1
InChIInChI=1S/C20H22N6O/c1-25(15-3-2-7-21-11-15)18-6-8-26-19(24-18)16(12-22-26)20(27)23-17-10-13-4-5-14(17)9-13/h2-3,6-8,11-14,17H,4-5,9-10H2,1H3,(H,23,27)
InChIKeyJXLRIKXDAHOOBX-UHFFFAOYSA-N
XLogP2.81
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66677604) is N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(c1cccnc1)c1ccn2ncc(C(=O)NC3CC4CCC3C4)c2n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JXLRIKXDAHOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-25(15-3-2-7-21-11-15)18-6-8-26-19(24-18)16(12-22-26)20(27)23-17-10-13-4-5-14(17)9-13/h2-3,6-8,11-14,17H,4-5,9-10H2,1H3,(H,23,27).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-[methyl(pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66677604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).