6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

C23H21N5OS — CID 155163533

IUPAC6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCSc1ccc(Cn2c(C)nc3ncc(-c4cn(C)c(=O)c5[nH]ccc45)cc32)cc1
InChIInChI=1S/C23H21N5OS/c1-14-26-22-20(28(14)12-15-4-6-17(30-3)7-5-15)10-16(11-25-22)19-13-27(2)23(29)21-18(19)8-9-24-21/h4-11,13,24H,12H2,1-3H3
InChIKeyGQDUGMPGNVUSLF-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.36
Rot. Bonds4

About 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 155163533) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID155163533
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCSc1ccc(Cn2c(C)nc3ncc(-c4cn(C)c(=O)c5[nH]ccc45)cc32)cc1
InChIInChI=1S/C23H21N5OS/c1-14-26-22-20(28(14)12-15-4-6-17(30-3)7-5-15)10-16(11-25-22)19-13-27(2)23(29)21-18(19)8-9-24-21/h4-11,13,24H,12H2,1-3H3
InChIKeyGQDUGMPGNVUSLF-UHFFFAOYSA-N
XLogP4.36
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 155163533) is 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is CSc1ccc(Cn2c(C)nc3ncc(-c4cn(C)c(=O)c5[nH]ccc45)cc32)cc1.
What is the InChIKey of 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is GQDUGMPGNVUSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-14-26-22-20(28(14)12-15-4-6-17(30-3)7-5-15)10-16(11-25-22)19-13-27(2)23(29)21-18(19)8-9-24-21/h4-11,13,24H,12H2,1-3H3.
What are the key properties of 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 415.52 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-methyl-1-[(4-methylsulfanylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 155163533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).