4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

C20H14F3N7O — CID 138571502

IUPAC4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncn(C)c2n1
InChIInChI=1S/C20H14F3N7O/c1-11-5-13(7-24)25-9-15(11)31-17-6-14(18-19(29-17)30(2)10-27-18)28-16-4-3-12(8-26-16)20(21,22)23/h3-6,8-10H,1-2H3,(H,26,28,29)
InChIKeyZCUMCZGDQUECHD-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.49
Rot. Bonds4

About 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 138571502) has the molecular formula C20H14F3N7O and a molecular weight of 425.37 g/mol. Its IUPAC name is 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
PubChem CID138571502
Molecular FormulaC20H14F3N7O
Molecular Weight425.37 g/mol
Exact Mass425.12
IUPAC Name4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncn(C)c2n1
InChIInChI=1S/C20H14F3N7O/c1-11-5-13(7-24)25-9-15(11)31-17-6-14(18-19(29-17)30(2)10-27-18)28-16-4-3-12(8-26-16)20(21,22)23/h3-6,8-10H,1-2H3,(H,26,28,29)
InChIKeyZCUMCZGDQUECHD-UHFFFAOYSA-N
XLogP4.49
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-[7-[[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138571402
4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138560280
4-ethyl-5-[7-[(5-formyl-2-pyridinyl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 170152532
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
CID 159146173
5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methyl-N-[6-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)pyridazin-3-yl]imidazo[4,5-b]pyridin-7-amine
CID 160851536
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile
CID 138560443
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-cyclopropylamino]-4-methylpyridine-2-carbonitrile
CID 138571499
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile
CID 142560002
tert-butyl 4-[6-[[5-[(2-cyano-4-methyl-1,2-dihydropyridin-5-yl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 170336484
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile
CID 138560012
(6-cyano-4-methyl-3-pyridinyl) hypofluorite
CID 142338258
2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 18506909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 138571502) is 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncn(C)c2n1.
What is the InChIKey of 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is ZCUMCZGDQUECHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N7O/c1-11-5-13(7-24)25-9-15(11)31-17-6-14(18-19(29-17)30(2)10-27-18)28-16-4-3-12(8-26-16)20(21,22)23/h3-6,8-10H,1-2H3,(H,26,28,29).
What are the key properties of 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 425.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138571502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).