4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one

C24H25FN6O2 — CID 166452254

IUPAC4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(C)c(F)c1-c1nccc2c1CN(c1cc(C)nc(N3CCNCC3)n1)C2=O
InChIInChI=1S/C24H25FN6O2/c1-14-4-5-18(33-3)20(21(14)25)22-17-13-31(23(32)16(17)6-7-27-22)19-12-15(2)28-24(29-19)30-10-8-26-9-11-30/h4-7,12,26H,8-11,13H2,1-3H3
InChIKeySUUCMKWLLJDZNW-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.87
Rot. Bonds4

About 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one

4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166452254) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166452254
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(C)c(F)c1-c1nccc2c1CN(c1cc(C)nc(N3CCNCC3)n1)C2=O
InChIInChI=1S/C24H25FN6O2/c1-14-4-5-18(33-3)20(21(14)25)22-17-13-31(23(32)16(17)6-7-27-22)19-12-15(2)28-24(29-19)30-10-8-26-9-11-30/h4-7,12,26H,8-11,13H2,1-3H3
InChIKeySUUCMKWLLJDZNW-UHFFFAOYSA-N
XLogP2.87
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 175365711
2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452402
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-3H-isoindol-1-one
CID 175365753
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452438
2-[6-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452439
2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452365
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-1-oxo-3H-isoindole-5-carbonitrile
CID 175365739
4-(2-fluoro-6-methoxyphenyl)-2-[6-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452226
4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452240
2-[6-[(3R)-3-aminopyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452214
2-[6-[(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-4-cyclobutyl-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452246
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452352

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166452254) is 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccc(C)c(F)c1-c1nccc2c1CN(c1cc(C)nc(N3CCNCC3)n1)C2=O.
What is the InChIKey of 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is SUUCMKWLLJDZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-14-4-5-18(33-3)20(21(14)25)22-17-13-31(23(32)16(17)6-7-27-22)19-12-15(2)28-24(29-19)30-10-8-26-9-11-30/h4-7,12,26H,8-11,13H2,1-3H3.
What are the key properties of 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 448.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxy-3-methylphenyl)-2-(6-methyl-2-piperazin-1-ylpyrimidin-4-yl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166452254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).