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

C25H23ClFN5O — CID 90413345

IUPAC(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C25H23ClFN5O/c26-21-13-29-24(31-25(33)18-4-2-8-28-12-18)11-20(21)17-6-7-22-23(10-17)32(15-30-22)14-16-3-1-5-19(27)9-16/h1,3,5-7,9-11,13,15,18,28H,2,4,8,12,14H2,(H,29,31,33)/t18-/m1/s1
InChIKeyRGKGYJUOEFPXPE-GOSISDBHSA-N
MW463.94 g/mol
LogP4.88
Rot. Bonds5

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

(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90413345) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90413345
Molecular FormulaC25H23ClFN5O
Molecular Weight463.94 g/mol
Exact Mass463.16
IUPAC Name(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C25H23ClFN5O/c26-21-13-29-24(31-25(33)18-4-2-8-28-12-18)11-20(21)17-6-7-22-23(10-17)32(15-30-22)14-16-3-1-5-19(27)9-16/h1,3,5-7,9-11,13,15,18,28H,2,4,8,12,14H2,(H,29,31,33)/t18-/m1/s1
InChIKeyRGKGYJUOEFPXPE-GOSISDBHSA-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-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90413345) is (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2ccc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is RGKGYJUOEFPXPE-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23ClFN5O/c26-21-13-29-24(31-25(33)18-4-2-8-28-12-18)11-20(21)17-6-7-22-23(10-17)32(15-30-22)14-16-3-1-5-19(27)9-16/h1,3,5-7,9-11,13,15,18,28H,2,4,8,12,14H2,(H,29,31,33)/t18-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-[(3-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-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90413345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).