N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

C21H22N6O2 — CID 139447649

IUPACN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3CC(C)(C)O)ccn2)cn1
InChIInChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)
InChIKeyRBNXRNXSQJWDFU-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.86
Rot. Bonds5

About N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 139447649) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
PubChem CID139447649
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3CC(C)(C)O)ccn2)cn1
InChIInChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)
InChIKeyRBNXRNXSQJWDFU-UHFFFAOYSA-N
XLogP2.86
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-1,2,3-triazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646204
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646206
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide
CID 139593669
1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25027074
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 139447960
N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3237988

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (CID 139447649) is N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3CC(C)(C)O)ccn2)cn1.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is RBNXRNXSQJWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 139447649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).