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

C23H24N6O2 — CID 139447960

IUPACN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3C3CCC(O)CC3)ccn2)cn1
InChIInChI=1S/C23H24N6O2/c1-28-14-16(13-25-28)20-12-15(10-11-24-20)22(31)27-23-26-19-4-2-3-5-21(19)29(23)17-6-8-18(30)9-7-17/h2-5,10-14,17-18,30H,6-9H2,1H3,(H,26,27,31)
InChIKeyVSADFXZBXNTHOQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.56
Rot. Bonds4

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

N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 139447960) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
PubChem CID139447960
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3C3CCC(O)CC3)ccn2)cn1
InChIInChI=1S/C23H24N6O2/c1-28-14-16(13-25-28)20-12-15(10-11-24-20)22(31)27-23-26-19-4-2-3-5-21(19)29(23)17-6-8-18(30)9-7-17/h2-5,10-14,17-18,30H,6-9H2,1H3,(H,26,27,31)
InChIKeyVSADFXZBXNTHOQ-UHFFFAOYSA-N
XLogP3.56
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (CID 139447960) is N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3C3CCC(O)CC3)ccn2)cn1.
What is the InChIKey of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is VSADFXZBXNTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28-14-16(13-25-28)20-12-15(10-11-24-20)22(31)27-23-26-19-4-2-3-5-21(19)29(23)17-6-8-18(30)9-7-17/h2-5,10-14,17-18,30H,6-9H2,1H3,(H,26,27,31).
What are the key properties of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 139447960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).