N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide

C22H27N5O2 — CID 176791093

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)NC3CCC(C(C)(C)O)CC3)cn2)n2ccccc12
InChIInChI=1S/C22H27N5O2/c1-14-18-6-4-5-11-27(18)20(25-14)19-23-12-15(13-24-19)21(28)26-17-9-7-16(8-10-17)22(2,3)29/h4-6,11-13,16-17,29H,7-10H2,1-3H3,(H,26,28)
InChIKeyPZAFFXVDEMUZNN-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.16
Rot. Bonds4

About N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide (PubChem CID 176791093) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide
PubChem CID176791093
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)NC3CCC(C(C)(C)O)CC3)cn2)n2ccccc12
InChIInChI=1S/C22H27N5O2/c1-14-18-6-4-5-11-27(18)20(25-14)19-23-12-15(13-24-19)21(28)26-17-9-7-16(8-10-17)22(2,3)29/h4-6,11-13,16-17,29H,7-10H2,1-3H3,(H,26,28)
InChIKeyPZAFFXVDEMUZNN-UHFFFAOYSA-N
XLogP3.16
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-5-methoxy-6-(3-methylindazol-1-yl)pyridine-3-carboxamide
CID 176790964
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376
7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 137363100
8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 137241065
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
CID 138688290
1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indazole-5-carboxamide
CID 164625585
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 162519496
2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
CID 138688252
N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176791101
6-chloro-7-(1,1-difluoroethyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247343
6-chloro-7-(2-fluoropropan-2-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247336
1-N-tert-butyl-3-N-cycloheptylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071055

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide (CID 176791093) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide is Cc1nc(-c2ncc(C(=O)NC3CCC(C(C)(C)O)CC3)cn2)n2ccccc12.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide?
The InChIKey is PZAFFXVDEMUZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14-18-6-4-5-11-27(18)20(25-14)19-23-12-15(13-24-19)21(28)26-17-9-7-16(8-10-17)22(2,3)29/h4-6,11-13,16-17,29H,7-10H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 176791093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).