(3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

C25H23ClFN5O — CID 86299426

IUPAC(3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(Cc4ccccc4F)c3c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C25H23ClFN5O/c26-20-13-29-24(31-25(33)17-5-3-9-28-12-17)11-19(20)16-7-8-22-23(10-16)32(15-30-22)14-18-4-1-2-6-21(18)27/h1-2,4,6-8,10-11,13,15,17,28H,3,5,9,12,14H2,(H,29,31,33)/t17-/m1/s1
InChIKeyKLRNGHMHUTUOQS-QGZVFWFLSA-N
MW463.94 g/mol
LogP4.88
Rot. Bonds5

About (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 86299426) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID86299426
Molecular FormulaC25H23ClFN5O
Molecular Weight463.94 g/mol
Exact Mass463.16
IUPAC Name(3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(Cc4ccccc4F)c3c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C25H23ClFN5O/c26-20-13-29-24(31-25(33)17-5-3-9-28-12-17)11-19(20)16-7-8-22-23(10-16)32(15-30-22)14-18-4-1-2-6-21(18)27/h1-2,4,6-8,10-11,13,15,17,28H,3,5,9,12,14H2,(H,29,31,33)/t17-/m1/s1
InChIKeyKLRNGHMHUTUOQS-QGZVFWFLSA-N
XLogP4.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 86299426) is (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2ccc3ncn(Cc4ccccc4F)c3c2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is KLRNGHMHUTUOQS-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23ClFN5O/c26-20-13-29-24(31-25(33)17-5-3-9-28-12-17)11-19(20)16-7-8-22-23(10-16)32(15-30-22)14-18-4-1-2-6-21(18)27/h1-2,4,6-8,10-11,13,15,17,28H,3,5,9,12,14H2,(H,29,31,33)/t17-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[3-[(2-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 86299426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).