4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline

C33H27Cl2N13O2 — CID 160943669

IUPAC4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline
SMILESCc1cn(-c2nccc3[nH]c(-c4ccc(N)cc4)nc23)cn1.Nc1ccnc(Cl)c1N.O=[N+]([O-])c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1
InChIInChI=1S/C16H14N6.C12H7ClN4O2.C5H6ClN3/c1-10-8-22(9-19-10)16-14-13(6-7-18-16)20-15(21-14)11-2-4-12(17)5-3-11;13-11-10-9(5-6-14-11)15-12(16-10)7-1-3-8(4-2-7)17(18)19;6-5-4(8)3(7)1-2-9-5/h2-9H,17H2,1H3,(H,20,21);1-6H,(H,15,16);1-2H,8H2,(H2,7,9)
InChIKeySUVHZAWNSCNRCW-UHFFFAOYSA-N
MW708.57 g/mol
LogP6.79
Rot. Bonds4

About 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline

4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline (PubChem CID 160943669) has the molecular formula C33H27Cl2N13O2 and a molecular weight of 708.57 g/mol. Its IUPAC name is 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline.

Molecular Properties

Compound Name4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline
PubChem CID160943669
Molecular FormulaC33H27Cl2N13O2
Molecular Weight708.57 g/mol
Exact Mass707.18
IUPAC Name4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline
SMILESCc1cn(-c2nccc3[nH]c(-c4ccc(N)cc4)nc23)cn1.Nc1ccnc(Cl)c1N.O=[N+]([O-])c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1
InChIInChI=1S/C16H14N6.C12H7ClN4O2.C5H6ClN3/c1-10-8-22(9-19-10)16-14-13(6-7-18-16)20-15(21-14)11-2-4-12(17)5-3-11;13-11-10-9(5-6-14-11)15-12(16-10)7-1-3-8(4-2-7)17(18)19;6-5-4(8)3(7)1-2-9-5/h2-9H,17H2,1H3,(H,20,21);1-6H,(H,15,16);1-2H,8H2,(H2,7,9)
InChIKeySUVHZAWNSCNRCW-UHFFFAOYSA-N
XLogP6.79
TPSA235.05 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500708.57
LogP ≤ 56.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichlorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 68234726
6-N-[2-[[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 22142771
6-N-[2-[[4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 22143031
4-(6-chloro-7-(4-(1-phenylethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline
CID 46868648
4-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine
CID 145972904
N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine
CID 175581368
6-N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purine-2,6-diamine
CID 176042929
N-benzyl-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 145956498
6-chloro-7-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-2-(4-piperazin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 25152772
6-chloro-2-(4-piperazin-1-ylphenyl)-7-[4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 25152987
N-[1-[8-chloro-5-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine
CID 54588070
7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240993

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline?
The IUPAC name of 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline (CID 160943669) is 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline.
What is the SMILES notation for 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline?
The canonical SMILES for 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline is Cc1cn(-c2nccc3[nH]c(-c4ccc(N)cc4)nc23)cn1.Nc1ccnc(Cl)c1N.O=[N+]([O-])c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1.
What is the InChIKey of 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline?
The InChIKey is SUVHZAWNSCNRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6.C12H7ClN4O2.C5H6ClN3/c1-10-8-22(9-19-10)16-14-13(6-7-18-16)20-15(21-14)11-2-4-12(17)5-3-11;13-11-10-9(5-6-14-11)15-12(16-10)7-1-3-8(4-2-7)17(18)19;6-5-4(8)3(7)1-2-9-5/h2-9H,17H2,1H3,(H,20,21);1-6H,(H,15,16);1-2H,8H2,(H2,7,9).
What are the key properties of 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline?
4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline has a molecular weight of 708.57 g/mol, XLogP of 6.79, 4 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-nitrophenyl)-1H-imidazo[4,5-c]pyridine;2-chloropyridine-3,4-diamine;4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]aniline is sourced from PubChem (CID 160943669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).