2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C24H20ClFN4O2 — CID 162239865

IUPAC2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCN1CC[C@H](c2ccc(Cc3cc(-c4c(F)cccc4Cl)nc4c3C(=O)NC4)nc2)C1=O
InChIInChI=1S/C24H20ClFN4O2/c1-30-8-7-16(24(30)32)13-5-6-15(27-11-13)9-14-10-19(22-17(25)3-2-4-18(22)26)29-20-12-28-23(31)21(14)20/h2-6,10-11,16H,7-9,12H2,1H3,(H,28,31)/t16-/m1/s1
InChIKeyZWNZZRMVNSLEFX-MRXNPFEDSA-N
MW450.90 g/mol
LogP3.72
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 162239865) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID162239865
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCN1CC[C@H](c2ccc(Cc3cc(-c4c(F)cccc4Cl)nc4c3C(=O)NC4)nc2)C1=O
InChIInChI=1S/C24H20ClFN4O2/c1-30-8-7-16(24(30)32)13-5-6-15(27-11-13)9-14-10-19(22-17(25)3-2-4-18(22)26)29-20-12-28-23(31)21(14)20/h2-6,10-11,16H,7-9,12H2,1H3,(H,28,31)/t16-/m1/s1
InChIKeyZWNZZRMVNSLEFX-MRXNPFEDSA-N
XLogP3.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 162239865) is 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CN1CC[C@H](c2ccc(Cc3cc(-c4c(F)cccc4Cl)nc4c3C(=O)NC4)nc2)C1=O.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ZWNZZRMVNSLEFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c1-30-8-7-16(24(30)32)13-5-6-15(27-11-13)9-14-10-19(22-17(25)3-2-4-18(22)26)29-20-12-28-23(31)21(14)20/h2-6,10-11,16H,7-9,12H2,1H3,(H,28,31)/t16-/m1/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 450.90 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 162239865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).