[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone

C22H24ClN5O2 — CID 66977599

IUPAC[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2ccc(Cl)c(-c3nc4ccncc4[nH]3)c2)C1)N1CCOCC1
InChIInChI=1S/C22H24ClN5O2/c23-18-4-3-16(12-17(18)21-25-19-5-6-24-13-20(19)26-21)28-7-1-2-15(14-28)22(29)27-8-10-30-11-9-27/h3-6,12-13,15H,1-2,7-11,14H2,(H,25,26)
InChIKeyKCKXLEHFJPYGKV-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.35
Rot. Bonds3

About [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 66977599) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID66977599
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2ccc(Cl)c(-c3nc4ccncc4[nH]3)c2)C1)N1CCOCC1
InChIInChI=1S/C22H24ClN5O2/c23-18-4-3-16(12-17(18)21-25-19-5-6-24-13-20(19)26-21)28-7-1-2-15(14-28)22(29)27-8-10-30-11-9-27/h3-6,12-13,15H,1-2,7-11,14H2,(H,25,26)
InChIKeyKCKXLEHFJPYGKV-UHFFFAOYSA-N
XLogP3.35
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 67099298
[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 67099396
(3R)-1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidine-3-carboxylic acid;hydrochloride
CID 66977468
azetidin-3-yl-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]methanone
CID 59568258
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide
CID 77225710
2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole
CID 141305852
[1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 67099208
(3S)-1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidine-3-carboxamide;formic acid
CID 158848198
[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 59568281
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
morpholin-4-yl-(1-pyridin-4-ylazetidin-3-yl)methanone
CID 163357808
[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95100992

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 66977599) is [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(c2ccc(Cl)c(-c3nc4ccncc4[nH]3)c2)C1)N1CCOCC1.
What is the InChIKey of [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KCKXLEHFJPYGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-18-4-3-16(12-17(18)21-25-19-5-6-24-13-20(19)26-21)28-7-1-2-15(14-28)22(29)27-8-10-30-11-9-27/h3-6,12-13,15H,1-2,7-11,14H2,(H,25,26).
What are the key properties of [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 425.92 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 66977599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).