[6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate

C20H24ClN5O2 — CID 175521030

IUPAC[6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate
SMILESCC(CCCCC(OC(N)=O)c1ccccc1)n1c(N)nc2ccnc(Cl)c21
InChIInChI=1S/C20H24ClN5O2/c1-13(26-17-15(25-19(26)22)11-12-24-18(17)21)7-5-6-10-16(28-20(23)27)14-8-3-2-4-9-14/h2-4,8-9,11-13,16H,5-7,10H2,1H3,(H2,22,25)(H2,23,27)
InChIKeyFOIKWSLODYLZCN-UHFFFAOYSA-N
MW401.90 g/mol
LogP4.62
Rot. Bonds8

About [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate

[6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate (PubChem CID 175521030) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate.

Molecular Properties

Compound Name[6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate
PubChem CID175521030
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name[6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate
SMILESCC(CCCCC(OC(N)=O)c1ccccc1)n1c(N)nc2ccnc(Cl)c21
InChIInChI=1S/C20H24ClN5O2/c1-13(26-17-15(25-19(26)22)11-12-24-18(17)21)7-5-6-10-16(28-20(23)27)14-8-3-2-4-9-14/h2-4,8-9,11-13,16H,5-7,10H2,1H3,(H2,22,25)(H2,23,27)
InChIKeyFOIKWSLODYLZCN-UHFFFAOYSA-N
XLogP4.62
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diphenylpropyl carbamate
CID 154100927
(2-amino-1-phenylethyl) carbamate
CID 57066991
(4-azido-1-phenylbutyl) carbamate
CID 121415286
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate
CID 174613982
(2-bromo-1-phenylethyl) carbamate
CID 175141510
tert-butyl N-[5-[2-amino-7-(dimethylcarbamoyl)benzimidazol-1-yl]hexyl]carbamate
CID 166454492
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[1-phenyl-3-(1-phenylpyrrolidin-1-ium-1-yl)propyl] carbamate
CID 18700388

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate?
The IUPAC name of [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate (CID 175521030) is [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate.
What is the SMILES notation for [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate?
The canonical SMILES for [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate is CC(CCCCC(OC(N)=O)c1ccccc1)n1c(N)nc2ccnc(Cl)c21.
What is the InChIKey of [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate?
The InChIKey is FOIKWSLODYLZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-13(26-17-15(25-19(26)22)11-12-24-18(17)21)7-5-6-10-16(28-20(23)27)14-8-3-2-4-9-14/h2-4,8-9,11-13,16H,5-7,10H2,1H3,(H2,22,25)(H2,23,27).
What are the key properties of [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate?
[6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate has a molecular weight of 401.90 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-4-chloroimidazo[4,5-c]pyridin-3-yl)-1-phenylheptyl] carbamate is sourced from PubChem (CID 175521030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).