[(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C18H21ClN4O — CID 77082228

IUPAC[(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)C1
InChIInChI=1S/C18H21ClN4O/c19-13-4-1-11(2-5-13)17-21-15-7-8-23(10-16(15)22-17)18(24)12-3-6-14(20)9-12/h1-2,4-5,12,14H,3,6-10,20H2,(H,21,22)/t12-,14+/m0/s1
InChIKeyABXLBMILKCMIOR-GXTWGEPZSA-N
MW344.85 g/mol
LogP2.74
Rot. Bonds2

About [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 77082228) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID77082228
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)C1
InChIInChI=1S/C18H21ClN4O/c19-13-4-1-11(2-5-13)17-21-15-7-8-23(10-16(15)22-17)18(24)12-3-6-14(20)9-12/h1-2,4-5,12,14H,3,6-10,20H2,(H,21,22)/t12-,14+/m0/s1
InChIKeyABXLBMILKCMIOR-GXTWGEPZSA-N
XLogP2.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3S)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 133135286
[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 99931364
[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 77091830
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 133128264
[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
CID 72931543
5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one
CID 77090493
4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124680303
3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 77089409
1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-morpholin-2-ylethanone;dihydrochloride
CID 154901124
(3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119678354
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
4-[5-(6-aminopyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91782580

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 77082228) is [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is N[C@@H]1CC[C@H](C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)C1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is ABXLBMILKCMIOR-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-13-4-1-11(2-5-13)17-21-15-7-8-23(10-16(15)22-17)18(24)12-3-6-14(20)9-12/h1-2,4-5,12,14H,3,6-10,20H2,(H,21,22)/t12-,14+/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 344.85 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 77082228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).