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

C27H18N8 — CID 157043317

IUPAC4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(Nc3ccc(-c4nc5ncc(Nc6ccncc6)cc5[nH]4)cc3)c2c1
InChIInChI=1S/C27H18N8/c28-15-17-1-6-23-22(13-17)24(9-12-30-23)33-19-4-2-18(3-5-19)26-34-25-14-21(16-31-27(25)35-26)32-20-7-10-29-11-8-20/h1-14,16H,(H,29,32)(H,30,33)(H,31,34,35)
InChIKeyUTVVLSTXDVOEMR-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.93
Rot. Bonds5

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

4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile (PubChem CID 157043317) has the molecular formula C27H18N8 and a molecular weight of 454.50 g/mol. Its IUPAC name is 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
PubChem CID157043317
Molecular FormulaC27H18N8
Molecular Weight454.50 g/mol
Exact Mass454.17
IUPAC Name4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(Nc3ccc(-c4nc5ncc(Nc6ccncc6)cc5[nH]4)cc3)c2c1
InChIInChI=1S/C27H18N8/c28-15-17-1-6-23-22(13-17)24(9-12-30-23)33-19-4-2-18(3-5-19)26-34-25-14-21(16-31-27(25)35-26)32-20-7-10-29-11-8-20/h1-14,16H,(H,29,32)(H,30,33)(H,31,34,35)
InChIKeyUTVVLSTXDVOEMR-UHFFFAOYSA-N
XLogP5.93
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The IUPAC name of 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile (CID 157043317) is 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The canonical SMILES for 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile is N#Cc1ccc2nccc(Nc3ccc(-c4nc5ncc(Nc6ccncc6)cc5[nH]4)cc3)c2c1.
What is the InChIKey of 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The InChIKey is UTVVLSTXDVOEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N8/c28-15-17-1-6-23-22(13-17)24(9-12-30-23)33-19-4-2-18(3-5-19)26-34-25-14-21(16-31-27(25)35-26)32-20-7-10-29-11-8-20/h1-14,16H,(H,29,32)(H,30,33)(H,31,34,35).
What are the key properties of 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile has a molecular weight of 454.50 g/mol, XLogP of 5.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile is sourced from PubChem (CID 157043317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).