4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile

C27H19N9 — CID 157043907

IUPAC4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile
SMILESCc1cc(Nc2cnc3nc(-c4ccc(Nc5ccnc6ccc(C#N)cc56)nc4)[nH]c3c2)ccn1
InChIInChI=1S/C27H19N9/c1-16-10-19(6-8-29-16)33-20-12-24-27(32-15-20)36-26(35-24)18-3-5-25(31-14-18)34-23-7-9-30-22-4-2-17(13-28)11-21(22)23/h2-12,14-15H,1H3,(H,29,33)(H,30,31,34)(H,32,35,36)
InChIKeyDHLCMVIKVKBLFU-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.63
Rot. Bonds5

About 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile

4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile (PubChem CID 157043907) has the molecular formula C27H19N9 and a molecular weight of 469.51 g/mol. Its IUPAC name is 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile
PubChem CID157043907
Molecular FormulaC27H19N9
Molecular Weight469.51 g/mol
Exact Mass469.18
IUPAC Name4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile
SMILESCc1cc(Nc2cnc3nc(-c4ccc(Nc5ccnc6ccc(C#N)cc56)nc4)[nH]c3c2)ccn1
InChIInChI=1S/C27H19N9/c1-16-10-19(6-8-29-16)33-20-12-24-27(32-15-20)36-26(35-24)18-3-5-25(31-14-18)34-23-7-9-30-22-4-2-17(13-28)11-21(22)23/h2-12,14-15H,1H3,(H,29,33)(H,30,31,34)(H,32,35,36)
InChIKeyDHLCMVIKVKBLFU-UHFFFAOYSA-N
XLogP5.63
TPSA128.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile?
The IUPAC name of 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile (CID 157043907) is 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile?
The canonical SMILES for 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile is Cc1cc(Nc2cnc3nc(-c4ccc(Nc5ccnc6ccc(C#N)cc56)nc4)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile?
The InChIKey is DHLCMVIKVKBLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N9/c1-16-10-19(6-8-29-16)33-20-12-24-27(32-15-20)36-26(35-24)18-3-5-25(31-14-18)34-23-7-9-30-22-4-2-17(13-28)11-21(22)23/h2-12,14-15H,1H3,(H,29,33)(H,30,31,34)(H,32,35,36).
What are the key properties of 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile?
4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile has a molecular weight of 469.51 g/mol, XLogP of 5.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]amino]quinoline-6-carbonitrile is sourced from PubChem (CID 157043907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).