N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C20H20N6O — CID 99870944

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20N6O/c1-12(2)18(19-22-14-5-3-4-6-15(14)23-19)24-20(27)17-11-16(25-26-17)13-7-9-21-10-8-13/h3-12,18H,1-2H3,(H,22,23)(H,24,27)(H,25,26)/t18-/m1/s1
InChIKeyDCGCUPKANKKCEE-GOSISDBHSA-N
MW360.42 g/mol
LogP3.48
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 99870944) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID99870944
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H20N6O/c1-12(2)18(19-22-14-5-3-4-6-15(14)23-19)24-20(27)17-11-16(25-26-17)13-7-9-21-10-8-13/h3-12,18H,1-2H3,(H,22,23)(H,24,27)(H,25,26)/t18-/m1/s1
InChIKeyDCGCUPKANKKCEE-GOSISDBHSA-N
XLogP3.48
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 91640158
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CID 53008213
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55939577
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 99870944) is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is CC(C)[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DCGCUPKANKKCEE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12(2)18(19-22-14-5-3-4-6-15(14)23-19)24-20(27)17-11-16(25-26-17)13-7-9-21-10-8-13/h3-12,18H,1-2H3,(H,22,23)(H,24,27)(H,25,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99870944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).