4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

C26H22N6O2S — CID 155163529

IUPAC4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1ccc(Cn2c(C)nc3ncc(-c4cn(Cc5nccs5)c(=O)c5[nH]ccc45)cc32)cc1
InChIInChI=1S/C26H22N6O2S/c1-16-30-25-22(32(16)13-17-3-5-19(34-2)6-4-17)11-18(12-29-25)21-14-31(15-23-27-9-10-35-23)26(33)24-20(21)7-8-28-24/h3-12,14,28H,13,15H2,1-2H3
InChIKeyMWUHTTIMZDXDDE-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.61
Rot. Bonds6

About 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 155163529) has the molecular formula C26H22N6O2S and a molecular weight of 482.57 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID155163529
Molecular FormulaC26H22N6O2S
Molecular Weight482.57 g/mol
Exact Mass482.15
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1ccc(Cn2c(C)nc3ncc(-c4cn(Cc5nccs5)c(=O)c5[nH]ccc45)cc32)cc1
InChIInChI=1S/C26H22N6O2S/c1-16-30-25-22(32(16)13-17-3-5-19(34-2)6-4-17)11-18(12-29-25)21-14-31(15-23-27-9-10-35-23)26(33)24-20(21)7-8-28-24/h3-12,14,28H,13,15H2,1-2H3
InChIKeyMWUHTTIMZDXDDE-UHFFFAOYSA-N
XLogP4.61
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 155163529) is 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is COc1ccc(Cn2c(C)nc3ncc(-c4cn(Cc5nccs5)c(=O)c5[nH]ccc45)cc32)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is MWUHTTIMZDXDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2S/c1-16-30-25-22(32(16)13-17-3-5-19(34-2)6-4-17)11-18(12-29-25)21-14-31(15-23-27-9-10-35-23)26(33)24-20(21)7-8-28-24/h3-12,14,28H,13,15H2,1-2H3.
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 482.57 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-6-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 155163529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).