N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C25H22N6O — CID 110204343

IUPACN-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCn1c([C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21
InChIInChI=1S/C25H22N6O/c1-31-23-13-6-5-12-19(23)27-24(31)21(15-17-9-3-2-4-10-17)28-25(32)22-16-20(29-30-22)18-11-7-8-14-26-18/h2-14,16,21H,15H2,1H3,(H,28,32)(H,29,30)/t21-/m0/s1
InChIKeyDVTZCRCYLWUEIB-NRFANRHFSA-N
MW422.49 g/mol
LogP4.07
Rot. Bonds6

About N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 110204343) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID110204343
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCn1c([C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21
InChIInChI=1S/C25H22N6O/c1-31-23-13-6-5-12-19(23)27-24(31)21(15-17-9-3-2-4-10-17)28-25(32)22-16-20(29-30-22)18-11-7-8-14-26-18/h2-14,16,21H,15H2,1H3,(H,28,32)(H,29,30)/t21-/m0/s1
InChIKeyDVTZCRCYLWUEIB-NRFANRHFSA-N
XLogP4.07
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 110204343) is N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is Cn1c([C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DVTZCRCYLWUEIB-NRFANRHFSA-N. The full InChI is InChI=1S/C25H22N6O/c1-31-23-13-6-5-12-19(23)27-24(31)21(15-17-9-3-2-4-10-17)28-25(32)22-16-20(29-30-22)18-11-7-8-14-26-18/h2-14,16,21H,15H2,1H3,(H,28,32)(H,29,30)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110204343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).