1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one

C24H22N6O2 — CID 70813251

IUPAC1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2ccc(=O)n(C)c2)c(OCc2ccc(-c3nc4cccnc4n3C)cc2)n1
InChIInChI=1S/C24H22N6O2/c1-28-13-18(10-11-21(28)31)19-14-29(2)27-24(19)32-15-16-6-8-17(9-7-16)22-26-20-5-4-12-25-23(20)30(22)3/h4-14H,15H2,1-3H3
InChIKeyVLZWRTXARKETDM-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.31
Rot. Bonds5

About 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one

1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one (PubChem CID 70813251) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one
PubChem CID70813251
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2ccc(=O)n(C)c2)c(OCc2ccc(-c3nc4cccnc4n3C)cc2)n1
InChIInChI=1S/C24H22N6O2/c1-28-13-18(10-11-21(28)31)19-14-29(2)27-24(19)32-15-16-6-8-17(9-7-16)22-26-20-5-4-12-25-23(20)30(22)3/h4-14H,15H2,1-3H3
InChIKeyVLZWRTXARKETDM-UHFFFAOYSA-N
XLogP3.31
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one
CID 66555443
ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 170985522
3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline
CID 70813184
1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole
CID 70813169
2-[4-[[6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15017914
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
1-methyl-5-[1-methyl-3-[[4-(1-methylbenzimidazol-4-yl)phenoxy]methyl]pyrazol-4-yl]pyridin-2-one;dihydrochloride
CID 154701592
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 58153861
5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine
CID 164705905
5-chloro-2-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrazolo[4,3-d]pyrimidine
CID 172584138
acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
CID 144894477

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one (CID 70813251) is 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one is Cn1cc(-c2ccc(=O)n(C)c2)c(OCc2ccc(-c3nc4cccnc4n3C)cc2)n1.
What is the InChIKey of 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one?
The InChIKey is VLZWRTXARKETDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-28-13-18(10-11-21(28)31)19-14-29(2)27-24(19)32-15-16-6-8-17(9-7-16)22-26-20-5-4-12-25-23(20)30(22)3/h4-14H,15H2,1-3H3.
What are the key properties of 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one?
1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one has a molecular weight of 426.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 70813251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).