(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

C26H25ClFN5O2 — CID 90414069

IUPAC(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1cc2ncn(Cc3cccc(F)c3)c2cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
InChIInChI=1S/C26H25ClFN5O2/c1-35-24-11-22-23(33(15-31-22)14-16-4-2-6-18(28)8-16)9-20(24)19-10-25(30-13-21(19)27)32-26(34)17-5-3-7-29-12-17/h2,4,6,8-11,13,15,17,29H,3,5,7,12,14H2,1H3,(H,30,32,34)/t17-/m1/s1
InChIKeyLBJBFDISKVOONG-QGZVFWFLSA-N
MW493.97 g/mol
LogP4.89
Rot. Bonds6

About (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90414069) has the molecular formula C26H25ClFN5O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90414069
Molecular FormulaC26H25ClFN5O2
Molecular Weight493.97 g/mol
Exact Mass493.17
IUPAC Name(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1cc2ncn(Cc3cccc(F)c3)c2cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
InChIInChI=1S/C26H25ClFN5O2/c1-35-24-11-22-23(33(15-31-22)14-16-4-2-6-18(28)8-16)9-20(24)19-10-25(30-13-21(19)27)32-26(34)17-5-3-7-29-12-17/h2,4,6,8-11,13,15,17,29H,3,5,7,12,14H2,1H3,(H,30,32,34)/t17-/m1/s1
InChIKeyLBJBFDISKVOONG-QGZVFWFLSA-N
XLogP4.89
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90414069) is (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is COc1cc2ncn(Cc3cccc(F)c3)c2cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is LBJBFDISKVOONG-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H25ClFN5O2/c1-35-24-11-22-23(33(15-31-22)14-16-4-2-6-18(28)8-16)9-20(24)19-10-25(30-13-21(19)27)32-26(34)17-5-3-7-29-12-17/h2,4,6,8-11,13,15,17,29H,3,5,7,12,14H2,1H3,(H,30,32,34)/t17-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 493.97 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]-6-methoxybenzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90414069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).