5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one

C27H26F2N6O3 — CID 167593238

IUPAC5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one
SMILESCn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(CC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O
InChIInChI=1S/C27H26F2N6O3/c1-34-13-16(14-3-4-14)9-19(26(34)37)32-27-33-25-23(35(27)2)22(24(28)29)21(12-31-25)38-18-7-8-30-17(10-18)11-20(36)15-5-6-15/h7-10,12-15,24H,3-6,11H2,1-2H3,(H,31,32,33)
InChIKeyFGPINWNQHFESHM-UHFFFAOYSA-N
MW520.54 g/mol
LogP4.93
Rot. Bonds9

About 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one

5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one (PubChem CID 167593238) has the molecular formula C27H26F2N6O3 and a molecular weight of 520.54 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one
PubChem CID167593238
Molecular FormulaC27H26F2N6O3
Molecular Weight520.54 g/mol
Exact Mass520.20
IUPAC Name5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one
SMILESCn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(CC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O
InChIInChI=1S/C27H26F2N6O3/c1-34-13-16(14-3-4-14)9-19(26(34)37)32-27-33-25-23(35(27)2)22(24(28)29)21(12-31-25)38-18-7-8-30-17(10-18)11-20(36)15-5-6-15/h7-10,12-15,24H,3-6,11H2,1-2H3,(H,31,32,33)
InChIKeyFGPINWNQHFESHM-UHFFFAOYSA-N
XLogP4.93
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one with MolForge

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Related Compounds

5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one
CID 167599263
1-[4-[2-[[5-tert-butyl-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
CID 167651326
3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-methylpyridin-2-one
CID 164559877
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-hydroxyacetamide
CID 168774439
5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-amine;2-[4-[2-[[5-tert-butyl-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-(2-chloro-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-1-cyclopropylethanone
CID 167655469
5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
CID 167558794
N-[4-[7-(difluoromethyl)-2-[[5-(2-isocyanopropan-2-yl)-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 169032807
5-cyclopropyl-3-[[3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]imidazo[4,5-b]pyridin-2-yl]amino]-1-(oxan-3-yl)pyridin-2-one
CID 167570552
3-[[7-chloro-6-[(1E)-1-(3-chloro-1H-pyrazin-1-ium-2-ylidene)-2-iminoethoxy]-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-methylpyridin-2-one
CID 164560338
N-[4-[7-cyano-2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 167639688
2-[4-[2-[[5-tert-butyl-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone
CID 167699876
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide
CID 168774302

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one?
The IUPAC name of 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one (CID 167593238) is 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one is Cn1cc(C2CC2)cc(Nc2nc3ncc(Oc4ccnc(CC(=O)C5CC5)c4)c(C(F)F)c3n2C)c1=O.
What is the InChIKey of 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one?
The InChIKey is FGPINWNQHFESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3/c1-34-13-16(14-3-4-14)9-19(26(34)37)32-27-33-25-23(35(27)2)22(24(28)29)21(12-31-25)38-18-7-8-30-17(10-18)11-20(36)15-5-6-15/h7-10,12-15,24H,3-6,11H2,1-2H3,(H,31,32,33).
What are the key properties of 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one?
5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one has a molecular weight of 520.54 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[6-[[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]oxy]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 167593238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).