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

C28H30N6O4 — CID 167570552

IUPAC5-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
SMILESCC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(C5CCCOC5)c4=O)n(C)c3n2)ccn1
InChIInChI=1S/C28H30N6O4/c1-17(35)12-20-14-22(9-10-29-20)38-25-8-7-23-26(32-25)33(2)28(30-23)31-24-13-19(18-5-6-18)15-34(27(24)36)21-4-3-11-37-16-21/h7-10,13-15,18,21H,3-6,11-12,16H2,1-2H3,(H,30,31)
InChIKeyZAKHRMPZGHFTON-UHFFFAOYSA-N
MW514.59 g/mol
LogP4.42
Rot. Bonds8

About 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

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 (PubChem CID 167570552) has the molecular formula C28H30N6O4 and a molecular weight of 514.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID167570552
Molecular FormulaC28H30N6O4
Molecular Weight514.59 g/mol
Exact Mass514.23
IUPAC Name5-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
SMILESCC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(C5CCCOC5)c4=O)n(C)c3n2)ccn1
InChIInChI=1S/C28H30N6O4/c1-17(35)12-20-14-22(9-10-29-20)38-25-8-7-23-26(32-25)33(2)28(30-23)31-24-13-19(18-5-6-18)15-34(27(24)36)21-4-3-11-37-16-21/h7-10,13-15,18,21H,3-6,11-12,16H2,1-2H3,(H,30,31)
InChIKeyZAKHRMPZGHFTON-UHFFFAOYSA-N
XLogP4.42
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one;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;[5-cyclopropyl-1-(oxan-3-yl)-2-oxo-3-pyridinyl] thiocyanate;methane
CID 167694272
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
1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167577306
N-[4-[[2-[[5-cyclopropyl-1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]-[1,3]thiazolo[4,5-b]pyridin-6-yl]oxy]-2-pyridinyl]acetamide
CID 167449279
1-(1,4-dioxan-2-ylmethyl)-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)pyridin-2-one
CID 167541040
3-[[6-(2-amino-1-pyrazin-2-ylethenoxy)-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 174018695
3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
CID 157042249
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
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
1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167545220
1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(C5CCCOC5)c4=O)n(C)c3n2)ccn1.
What is the InChIKey of 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?
The InChIKey is ZAKHRMPZGHFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O4/c1-17(35)12-20-14-22(9-10-29-20)38-25-8-7-23-26(32-25)33(2)28(30-23)31-24-13-19(18-5-6-18)15-34(27(24)36)21-4-3-11-37-16-21/h7-10,13-15,18,21H,3-6,11-12,16H2,1-2H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 514.59 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167570552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).