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

C26H25ClFN5O — CID 86299384

IUPAC(3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(CCc4cccc(F)c4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C26H25ClFN5O/c27-22-15-30-25(32-26(34)19-4-2-9-29-14-19)13-21(22)18-6-7-23-24(12-18)33(16-31-23)10-8-17-3-1-5-20(28)11-17/h1,3,5-7,11-13,15-16,19,29H,2,4,8-10,14H2,(H,30,32,34)/t19-/m1/s1
InChIKeyXKVLNUZREWXFAY-LJQANCHMSA-N
MW477.97 g/mol
LogP5.07
Rot. Bonds6

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

(3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 86299384) has the molecular formula C26H25ClFN5O and a molecular weight of 477.97 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID86299384
Molecular FormulaC26H25ClFN5O
Molecular Weight477.97 g/mol
Exact Mass477.17
IUPAC Name(3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(CCc4cccc(F)c4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C26H25ClFN5O/c27-22-15-30-25(32-26(34)19-4-2-9-29-14-19)13-21(22)18-6-7-23-24(12-18)33(16-31-23)10-8-17-3-1-5-20(28)11-17/h1,3,5-7,11-13,15-16,19,29H,2,4,8-10,14H2,(H,30,32,34)/t19-/m1/s1
InChIKeyXKVLNUZREWXFAY-LJQANCHMSA-N
XLogP5.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 55.07
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-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 86299384) is (3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2ccc3ncn(CCc4cccc(F)c4)c3c2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is XKVLNUZREWXFAY-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25ClFN5O/c27-22-15-30-25(32-26(34)19-4-2-9-29-14-19)13-21(22)18-6-7-23-24(12-18)33(16-31-23)10-8-17-3-1-5-20(28)11-17/h1,3,5-7,11-13,15-16,19,29H,2,4,8-10,14H2,(H,30,32,34)/t19-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-[2-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 5.07, 6 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-(3-fluorophenyl)ethyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 86299384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).