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

C29H22N8 — CID 157043962

IUPAC2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
SMILESCc1cc(Nc2cnc3nc(-c4ccc(Nc5cc(C)nc6ccc(C#N)cc56)cc4)[nH]c3c2)ccn1
InChIInChI=1S/C29H22N8/c1-17-11-22(9-10-31-17)34-23-14-27-29(32-16-23)37-28(36-27)20-4-6-21(7-5-20)35-26-12-18(2)33-25-8-3-19(15-30)13-24(25)26/h3-14,16H,1-2H3,(H,31,34)(H,33,35)(H,32,36,37)
InChIKeyFSTQCEKIDWROGX-UHFFFAOYSA-N
MW482.55 g/mol
LogP6.54
Rot. Bonds5

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

2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile (PubChem CID 157043962) has the molecular formula C29H22N8 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
PubChem CID157043962
Molecular FormulaC29H22N8
Molecular Weight482.55 g/mol
Exact Mass482.20
IUPAC Name2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
SMILESCc1cc(Nc2cnc3nc(-c4ccc(Nc5cc(C)nc6ccc(C#N)cc56)cc4)[nH]c3c2)ccn1
InChIInChI=1S/C29H22N8/c1-17-11-22(9-10-31-17)34-23-14-27-29(32-16-23)37-28(36-27)20-4-6-21(7-5-20)35-26-12-18(2)33-25-8-3-19(15-30)13-24(25)26/h3-14,16H,1-2H3,(H,31,34)(H,33,35)(H,32,36,37)
InChIKeyFSTQCEKIDWROGX-UHFFFAOYSA-N
XLogP6.54
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The IUPAC name of 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile (CID 157043962) is 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile.
What is the SMILES notation for 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The canonical SMILES for 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile is Cc1cc(Nc2cnc3nc(-c4ccc(Nc5cc(C)nc6ccc(C#N)cc56)cc4)[nH]c3c2)ccn1.
What is the InChIKey of 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
The InChIKey is FSTQCEKIDWROGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N8/c1-17-11-22(9-10-31-17)34-23-14-27-29(32-16-23)37-28(36-27)20-4-6-21(7-5-20)35-26-12-18(2)33-25-8-3-19(15-30)13-24(25)26/h3-14,16H,1-2H3,(H,31,34)(H,33,35)(H,32,36,37).
What are the key properties of 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile?
2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile has a molecular weight of 482.55 g/mol, XLogP of 6.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile is sourced from PubChem (CID 157043962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).