ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile

C29H24N8 — CID 157043463

IUPACethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
SMILESCC.N#Cc1ccc2nccc(Nc3ccc(-c4nc5nc(Nc6ccncc6)ccc5[nH]4)cc3)c2c1
InChIInChI=1S/C27H18N8.C2H6/c28-16-17-1-6-22-21(15-17)23(11-14-30-22)31-19-4-2-18(3-5-19)26-33-24-7-8-25(34-27(24)35-26)32-20-9-12-29-13-10-20;1-2/h1-15H,(H,30,31)(H2,29,32,33,34,35);1-2H3
InChIKeyMRNAITSKGSZCIP-UHFFFAOYSA-N
MW484.57 g/mol
LogP6.95
Rot. Bonds5

About ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile

ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile (PubChem CID 157043463) has the molecular formula C29H24N8 and a molecular weight of 484.57 g/mol. Its IUPAC name is ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile.

Molecular Properties

Compound Nameethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
PubChem CID157043463
Molecular FormulaC29H24N8
Molecular Weight484.57 g/mol
Exact Mass484.21
IUPAC Nameethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
SMILESCC.N#Cc1ccc2nccc(Nc3ccc(-c4nc5nc(Nc6ccncc6)ccc5[nH]4)cc3)c2c1
InChIInChI=1S/C27H18N8.C2H6/c28-16-17-1-6-22-21(15-17)23(11-14-30-22)31-19-4-2-18(3-5-19)26-33-24-7-8-25(34-27(24)35-26)32-20-9-12-29-13-10-20;1-2/h1-15H,(H,30,31)(H2,29,32,33,34,35);1-2H3
InChIKeyMRNAITSKGSZCIP-UHFFFAOYSA-N
XLogP6.95
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile with MolForge

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Related Compounds

Toreforant
CID 23650961
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Panulisib
CID 56947515
Bag-956
CID 24882589
SB-525334
CID 9967941
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
B-Raf inhibitor 1
CID 44223999
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
4-[[9-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenyl]purin-2-yl]amino]benzonitrile
CID 16074499
Vlx-600
CID 6410104

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The IUPAC name of ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile (CID 157043463) is ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile.
What is the SMILES notation for ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The canonical SMILES for ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile is CC.N#Cc1ccc2nccc(Nc3ccc(-c4nc5nc(Nc6ccncc6)ccc5[nH]4)cc3)c2c1.
What is the InChIKey of ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The InChIKey is MRNAITSKGSZCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N8.C2H6/c28-16-17-1-6-22-21(15-17)23(11-14-30-22)31-19-4-2-18(3-5-19)26-33-24-7-8-25(34-27(24)35-26)32-20-9-12-29-13-10-20;1-2/h1-15H,(H,30,31)(H2,29,32,33,34,35);1-2H3.
What are the key properties of ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile has a molecular weight of 484.57 g/mol, XLogP of 6.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-[5-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile is sourced from PubChem (CID 157043463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).