4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine

C28H32Cl3N9O2 — CID 157327303

IUPAC4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine
SMILESCc1cc(N)c(NC2CC2)c(Cl)n1.Cc1cc([N+](=O)[O-])c(NC2CC2)c(Cl)n1.Cc1cc2ncn(C3CC3)c2c(Cl)n1
InChIInChI=1S/C10H10ClN3.C9H10ClN3O2.C9H12ClN3/c1-6-4-8-9(10(11)13-6)14(5-12-8)7-2-3-7;1-5-4-7(13(14)15)8(9(10)11-5)12-6-2-3-6;1-5-4-7(11)8(9(10)12-5)13-6-2-3-6/h4-5,7H,2-3H2,1H3;4,6,12H,2-3H2,1H3;4,6,13H,2-3H2,1H3,(H2,11,12)
InChIKeyBEWOSVURAUXRBP-UHFFFAOYSA-N
MW632.98 g/mol
LogP7.45
Rot. Bonds6

About 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine

4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine (PubChem CID 157327303) has the molecular formula C28H32Cl3N9O2 and a molecular weight of 632.98 g/mol. Its IUPAC name is 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine
PubChem CID157327303
Molecular FormulaC28H32Cl3N9O2
Molecular Weight632.98 g/mol
Exact Mass631.17
IUPAC Name4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine
SMILESCc1cc(N)c(NC2CC2)c(Cl)n1.Cc1cc([N+](=O)[O-])c(NC2CC2)c(Cl)n1.Cc1cc2ncn(C3CC3)c2c(Cl)n1
InChIInChI=1S/C10H10ClN3.C9H10ClN3O2.C9H12ClN3/c1-6-4-8-9(10(11)13-6)14(5-12-8)7-2-3-7;1-5-4-7(13(14)15)8(9(10)11-5)12-6-2-3-6;1-5-4-7(11)8(9(10)12-5)13-6-2-3-6/h4-5,7H,2-3H2,1H3;4,6,12H,2-3H2,1H3;4,6,13H,2-3H2,1H3,(H2,11,12)
InChIKeyBEWOSVURAUXRBP-UHFFFAOYSA-N
XLogP7.45
TPSA149.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.98
LogP ≤ 57.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine 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

US10851082, Nucc-0176366
CID 129086117
US10851082, Nucc-0176365
CID 129086145
6-N-[2-[[7-chloro-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 59312882
2-N-tert-butyl-8-N-(5-chloro-3-pyridinyl)-9-piperidin-4-ylpurine-2,8-diamine
CID 132188788
5-chloro-3-ethylimidazo[4,5-b]pyridin-2-amine;6-chloro-N-ethyl-3-nitropyridin-2-amine;6-chloro-2-N-ethylpyridine-2,3-diamine
CID 157693854
2,4-dichloro-6-methyl-5-nitropyrimidine;N,4-dimethyl-6-(4-methylimidazol-1-yl)-5-nitro-N-phenylpyrimidin-2-amine
CID 159182950
3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine
CID 159267286
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-chloro-2-[(dimethylamino)methyl]imidazo[1,2-c]pyrimidin-5-amine
CID 159717789
1-hexadecylimidazo[4,5-c]pyridine;N-hexadecyl-3-nitropyridin-4-amine
CID 161055905
6-bromo-4-chloro-3-methylimidazo[4,5-c]pyridine;6-bromo-2-chloro-N-methyl-4-nitropyridin-3-amine;6-bromo-2-chloro-3-N-methylpyridine-3,4-diamine
CID 161254258
5-chloro-3-ethylimidazo[4,5-b]pyridin-2-amine;6-chloro-N-ethyl-3-nitropyridin-2-amine;6-chloro-2-N-ethylpyridine-2,3-diamine;3-ethylimidazo[4,5-b]pyridin-2-amine
CID 161507886
N-(4,6-dichloropyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 3789479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine?
The IUPAC name of 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine (CID 157327303) is 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine?
The canonical SMILES for 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine is Cc1cc(N)c(NC2CC2)c(Cl)n1.Cc1cc([N+](=O)[O-])c(NC2CC2)c(Cl)n1.Cc1cc2ncn(C3CC3)c2c(Cl)n1.
What is the InChIKey of 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine?
The InChIKey is BEWOSVURAUXRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3.C9H10ClN3O2.C9H12ClN3/c1-6-4-8-9(10(11)13-6)14(5-12-8)7-2-3-7;1-5-4-7(13(14)15)8(9(10)11-5)12-6-2-3-6;1-5-4-7(11)8(9(10)12-5)13-6-2-3-6/h4-5,7H,2-3H2,1H3;4,6,12H,2-3H2,1H3;4,6,13H,2-3H2,1H3,(H2,11,12).
What are the key properties of 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine?
4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine has a molecular weight of 632.98 g/mol, XLogP of 7.45, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclopropyl-6-methylimidazo[4,5-c]pyridine;2-chloro-N-cyclopropyl-6-methyl-4-nitropyridin-3-amine;2-chloro-3-N-cyclopropyl-6-methylpyridine-3,4-diamine is sourced from PubChem (CID 157327303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).