2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C26H24ClFN4O3 — CID 148884600

IUPAC2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3Cl)cc(Cc3ccc(CC(=O)N4CCC[C@H]4CO)cn3)c21
InChIInChI=1S/C26H24ClFN4O3/c27-19-4-1-5-20(28)25(19)21-11-16(24-22(31-21)13-30-26(24)35)10-17-7-6-15(12-29-17)9-23(34)32-8-2-3-18(32)14-33/h1,4-7,11-12,18,33H,2-3,8-10,13-14H2,(H,30,35)/t18-/m0/s1
InChIKeyPDSSCJCFSXDEHN-SFHVURJKSA-N
MW494.95 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 148884600) has the molecular formula C26H24ClFN4O3 and a molecular weight of 494.95 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID148884600
Molecular FormulaC26H24ClFN4O3
Molecular Weight494.95 g/mol
Exact Mass494.15
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3Cl)cc(Cc3ccc(CC(=O)N4CCC[C@H]4CO)cn3)c21
InChIInChI=1S/C26H24ClFN4O3/c27-19-4-1-5-20(28)25(19)21-11-16(24-22(31-21)13-30-26(24)35)10-17-7-6-15(12-29-17)9-23(34)32-8-2-3-18(32)14-33/h1,4-7,11-12,18,33H,2-3,8-10,13-14H2,(H,30,35)/t18-/m0/s1
InChIKeyPDSSCJCFSXDEHN-SFHVURJKSA-N
XLogP3.30
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.95
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-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-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 148884600) is 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-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-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2nc(-c3c(F)cccc3Cl)cc(Cc3ccc(CC(=O)N4CCC[C@H]4CO)cn3)c21.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is PDSSCJCFSXDEHN-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24ClFN4O3/c27-19-4-1-5-20(28)25(19)21-11-16(24-22(31-21)13-30-26(24)35)10-17-7-6-15(12-29-17)9-23(34)32-8-2-3-18(32)14-33/h1,4-7,11-12,18,33H,2-3,8-10,13-14H2,(H,30,35)/t18-/m0/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 494.95 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-[[5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 148884600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).