N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide

C25H23N7O2 — CID 139448027

IUPACN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1ccnc(-c2cccn3ncnc23)c1
InChIInChI=1S/C25H23N7O2/c33-18-9-7-17(8-10-18)32-22-6-2-1-5-20(22)29-25(32)30-24(34)16-11-12-26-21(14-16)19-4-3-13-31-23(19)27-15-28-31/h1-6,11-15,17-18,33H,7-10H2,(H,29,30,34)
InChIKeyRBQMARBJOGTOGM-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide

N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide (PubChem CID 139448027) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide
PubChem CID139448027
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC NameN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1ccnc(-c2cccn3ncnc23)c1
InChIInChI=1S/C25H23N7O2/c33-18-9-7-17(8-10-18)32-22-6-2-1-5-20(22)29-25(32)30-24(34)16-11-12-26-21(14-16)19-4-3-13-31-23(19)27-15-28-31/h1-6,11-15,17-18,33H,7-10H2,(H,29,30,34)
InChIKeyRBQMARBJOGTOGM-UHFFFAOYSA-N
XLogP3.87
TPSA110.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide (CID 139448027) is N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide is O=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1ccnc(-c2cccn3ncnc23)c1.
What is the InChIKey of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide?
The InChIKey is RBQMARBJOGTOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c33-18-9-7-17(8-10-18)32-22-6-2-1-5-20(22)29-25(32)30-24(34)16-11-12-26-21(14-16)19-4-3-13-31-23(19)27-15-28-31/h1-6,11-15,17-18,33H,7-10H2,(H,29,30,34).
What are the key properties of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide?
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide is sourced from PubChem (CID 139448027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).