4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile

C27H19N9 — CID 157043023

IUPAC4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile
SMILESCc1cc(Nc2cnc3nc(-c4cncc(Nc5ccnc6ccc(C#N)cc56)c4)[nH]c3c2)ccn1
InChIInChI=1S/C27H19N9/c1-16-8-19(4-6-30-16)33-21-11-25-27(32-15-21)36-26(35-25)18-10-20(14-29-13-18)34-24-5-7-31-23-3-2-17(12-28)9-22(23)24/h2-11,13-15H,1H3,(H,30,33)(H,31,34)(H,32,35,36)
InChIKeyLEYVANKSFRPFGK-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]-3-pyridinyl]amino]quinoline-6-carbonitrile

4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile (PubChem CID 157043023) 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]-3-pyridinyl]amino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile
PubChem CID157043023
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]-3-pyridinyl]amino]quinoline-6-carbonitrile
SMILESCc1cc(Nc2cnc3nc(-c4cncc(Nc5ccnc6ccc(C#N)cc56)c4)[nH]c3c2)ccn1
InChIInChI=1S/C27H19N9/c1-16-8-19(4-6-30-16)33-21-11-25-27(32-15-21)36-26(35-25)18-10-20(14-29-13-18)34-24-5-7-31-23-3-2-17(12-28)9-22(23)24/h2-11,13-15H,1H3,(H,30,33)(H,31,34)(H,32,35,36)
InChIKeyLEYVANKSFRPFGK-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

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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]-3-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]-3-pyridinyl]amino]quinoline-6-carbonitrile (CID 157043023) is 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-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]-3-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]-3-pyridinyl]amino]quinoline-6-carbonitrile is Cc1cc(Nc2cnc3nc(-c4cncc(Nc5ccnc6ccc(C#N)cc56)c4)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile?
The InChIKey is LEYVANKSFRPFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N9/c1-16-8-19(4-6-30-16)33-21-11-25-27(32-15-21)36-26(35-25)18-10-20(14-29-13-18)34-24-5-7-31-23-3-2-17(12-28)9-22(23)24/h2-11,13-15H,1H3,(H,30,33)(H,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]-3-pyridinyl]amino]quinoline-6-carbonitrile?
4-[[5-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-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]-3-pyridinyl]amino]quinoline-6-carbonitrile is sourced from PubChem (CID 157043023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).