3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

C22H26N8 — CID 171496392

IUPAC3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
SMILESCC.Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(N(N)/C=C\N)nc32)cc1
InChIInChI=1S/C20H20N8.C2H6/c1-13-4-6-14(7-5-13)28-19(15-3-2-11-24-18(15)22)25-16-8-9-17(26-20(16)28)27(23)12-10-21;1-2/h2-12H,21,23H2,1H3,(H2,22,24);1-2H3/b12-10-;
InChIKeyACOYECMVAOPYNR-BBJSDXRSSA-N
MW402.51 g/mol
LogP3.51
Rot. Bonds4

About 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane

3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (PubChem CID 171496392) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
PubChem CID171496392
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
SMILESCC.Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(N(N)/C=C\N)nc32)cc1
InChIInChI=1S/C20H20N8.C2H6/c1-13-4-6-14(7-5-13)28-19(15-3-2-11-24-18(15)22)25-16-8-9-17(26-20(16)28)27(23)12-10-21;1-2/h2-12H,21,23H2,1H3,(H2,22,24);1-2H3/b12-10-;
InChIKeyACOYECMVAOPYNR-BBJSDXRSSA-N
XLogP3.51
TPSA124.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane 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

ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068731
3-[5-(4-chlorophenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171494402
3-[5-cyclohexa-1,5-dien-1-yl-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069015
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
[4-[5-[(Z)-1-amino-2-[amino(ethyl)amino]ethenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495135
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
3-[5-(3-ethylphenyl)-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;methanol
CID 171495070
3-[3-(4-tert-butylphenyl)-5-hydrazinylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345308
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
CID 171069063
methyl 4-[2-(2-amino-3-pyridinyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]benzoate
CID 171494970
3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495971

Frequently Asked Questions

What is the IUPAC name of 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The IUPAC name of 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane (CID 171496392) is 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane.
What is the SMILES notation for 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The canonical SMILES for 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is CC.Cc1ccc(-n2c(-c3cccnc3N)nc3ccc(N(N)/C=C\N)nc32)cc1.
What is the InChIKey of 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
The InChIKey is ACOYECMVAOPYNR-BBJSDXRSSA-N. The full InChI is InChI=1S/C20H20N8.C2H6/c1-13-4-6-14(7-5-13)28-19(15-3-2-11-24-18(15)22)25-16-8-9-17(26-20(16)28)27(23)12-10-21;1-2/h2-12H,21,23H2,1H3,(H2,22,24);1-2H3/b12-10-;.
What are the key properties of 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane?
3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane has a molecular weight of 402.51 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[amino-[(Z)-2-aminoethenyl]amino]-3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 171496392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).