4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one

C23H27N5O2 — CID 166177891

IUPAC4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one
SMILESCOc1ccc(Cn2c(C)nc3ncc(C4CNC(=O)C5NC(C)CC54)cc32)cc1
InChIInChI=1S/C23H27N5O2/c1-13-8-18-19(11-25-23(29)21(18)26-13)16-9-20-22(24-10-16)27-14(2)28(20)12-15-4-6-17(30-3)7-5-15/h4-7,9-10,13,18-19,21,26H,8,11-12H2,1-3H3,(H,25,29)
InChIKeyXJFHBUDQWZHRGI-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.38
Rot. Bonds4

About 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one

4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 166177891) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one
PubChem CID166177891
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one
SMILESCOc1ccc(Cn2c(C)nc3ncc(C4CNC(=O)C5NC(C)CC54)cc32)cc1
InChIInChI=1S/C23H27N5O2/c1-13-8-18-19(11-25-23(29)21(18)26-13)16-9-20-22(24-10-16)27-14(2)28(20)12-15-4-6-17(30-3)7-5-15/h4-7,9-10,13,18-19,21,26H,8,11-12H2,1-3H3,(H,25,29)
InChIKeyXJFHBUDQWZHRGI-UHFFFAOYSA-N
XLogP2.38
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[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]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one (CID 166177891) is 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[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]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one is COc1ccc(Cn2c(C)nc3ncc(C4CNC(=O)C5NC(C)CC54)cc32)cc1.
What is the InChIKey of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is XJFHBUDQWZHRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-13-8-18-19(11-25-23(29)21(18)26-13)16-9-20-22(24-10-16)27-14(2)28(20)12-15-4-6-17(30-3)7-5-15/h4-7,9-10,13,18-19,21,26H,8,11-12H2,1-3H3,(H,25,29).
What are the key properties of 4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one?
4-[1-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 405.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2-methyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166177891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).