4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile

C27H17N7O — CID 157042937

IUPAC4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(Nc3cccc(-c4nc5ncc(Nc6ccncc6)cc5o4)c3)c2c1
InChIInChI=1S/C27H17N7O/c28-15-17-4-5-23-22(12-17)24(8-11-30-23)33-20-3-1-2-18(13-20)27-34-26-25(35-27)14-21(16-31-26)32-19-6-9-29-10-7-19/h1-14,16H,(H,29,32)(H,30,33)
InChIKeyTXVBCIFMGDFNCR-UHFFFAOYSA-N
MW455.48 g/mol
LogP6.19
Rot. Bonds5

About 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile

4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile (PubChem CID 157042937) has the molecular formula C27H17N7O and a molecular weight of 455.48 g/mol. Its IUPAC name is 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
PubChem CID157042937
Molecular FormulaC27H17N7O
Molecular Weight455.48 g/mol
Exact Mass455.15
IUPAC Name4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(Nc3cccc(-c4nc5ncc(Nc6ccncc6)cc5o4)c3)c2c1
InChIInChI=1S/C27H17N7O/c28-15-17-4-5-23-22(12-17)24(8-11-30-23)33-20-3-1-2-18(13-20)27-34-26-25(35-27)14-21(16-31-26)32-19-6-9-29-10-7-19/h1-14,16H,(H,29,32)(H,30,33)
InChIKeyTXVBCIFMGDFNCR-UHFFFAOYSA-N
XLogP6.19
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile with MolForge

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Related Compounds

2-[3-[(6-isocyanoquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 168838834
4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
CID 157043317
4-[3-[hydroxy-[3-(pyridin-4-ylamino)anilino]methyl]anilino]quinoline-6-carbonitrile
CID 170018734
2-(3-anilinophenyl)-N-(6-fluoroquinolin-4-yl)-1,3-benzoxazol-6-amine
CID 170002008
6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157042999
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
2-[3-[(6-isocyano-5,6,7,8-tetrahydroquinolin-4-yl)amino]phenyl]-N-pyridin-4-yl-1,3-benzoxazol-6-amine
CID 168838841
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The IUPAC name of 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile (CID 157042937) is 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The canonical SMILES for 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile is N#Cc1ccc2nccc(Nc3cccc(-c4nc5ncc(Nc6ccncc6)cc5o4)c3)c2c1.
What is the InChIKey of 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The InChIKey is TXVBCIFMGDFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N7O/c28-15-17-4-5-23-22(12-17)24(8-11-30-23)33-20-3-1-2-18(13-20)27-34-26-25(35-27)14-21(16-31-26)32-19-6-9-29-10-7-19/h1-14,16H,(H,29,32)(H,30,33).
What are the key properties of 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile has a molecular weight of 455.48 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(pyridin-4-ylamino)-[1,3]oxazolo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile is sourced from PubChem (CID 157042937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).