2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C26H29FN6O2 — CID 126677495

IUPAC2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cccc(F)c1-c1cc(-n2ccc(N3CCC(N4CCOCC4)CC3)n2)c2c(n1)CNC2=O
InChIInChI=1S/C26H29FN6O2/c1-17-3-2-4-19(27)24(17)20-15-22(25-21(29-20)16-28-26(25)34)33-10-7-23(30-33)32-8-5-18(6-9-32)31-11-13-35-14-12-31/h2-4,7,10,15,18H,5-6,8-9,11-14,16H2,1H3,(H,28,34)
InChIKeyIIJARQHVJFJNRY-UHFFFAOYSA-N
MW476.56 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 126677495) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID126677495
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cccc(F)c1-c1cc(-n2ccc(N3CCC(N4CCOCC4)CC3)n2)c2c(n1)CNC2=O
InChIInChI=1S/C26H29FN6O2/c1-17-3-2-4-19(27)24(17)20-15-22(25-21(29-20)16-28-26(25)34)33-10-7-23(30-33)32-8-5-18(6-9-32)31-11-13-35-14-12-31/h2-4,7,10,15,18H,5-6,8-9,11-14,16H2,1H3,(H,28,34)
InChIKeyIIJARQHVJFJNRY-UHFFFAOYSA-N
XLogP2.93
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-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-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 126677495) is 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC(N4CCOCC4)CC3)n2)c2c(n1)CNC2=O.
What is the InChIKey of 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is IIJARQHVJFJNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-17-3-2-4-19(27)24(17)20-15-22(25-21(29-20)16-28-26(25)34)33-10-7-23(30-33)32-8-5-18(6-9-32)31-11-13-35-14-12-31/h2-4,7,10,15,18H,5-6,8-9,11-14,16H2,1H3,(H,28,34).
What are the key properties of 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 476.56 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 126677495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).