4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C24H22FN3O3 — CID 166452240

IUPAC4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc([C@H]3CC[C@@H](O)C3)n1)C2=O
InChIInChI=1S/C24H22FN3O3/c1-31-20-6-2-4-18(25)22(20)23-17-13-28(24(30)16(17)10-11-26-23)21-7-3-5-19(27-21)14-8-9-15(29)12-14/h2-7,10-11,14-15,29H,8-9,12-13H2,1H3/t14-,15+/m0/s1
InChIKeyVBLYNTXTDXVULX-LSDHHAIUSA-N
MW419.46 g/mol
LogP4.08
Rot. Bonds4

About 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166452240) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166452240
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc([C@H]3CC[C@@H](O)C3)n1)C2=O
InChIInChI=1S/C24H22FN3O3/c1-31-20-6-2-4-18(25)22(20)23-17-13-28(24(30)16(17)10-11-26-23)21-7-3-5-19(27-21)14-8-9-15(29)12-14/h2-7,10-11,14-15,29H,8-9,12-13H2,1H3/t14-,15+/m0/s1
InChIKeyVBLYNTXTDXVULX-LSDHHAIUSA-N
XLogP4.08
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452402
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452352
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
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452438
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
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-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 175365711
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-[(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-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405459
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
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-3H-isoindol-1-one
CID 175365753

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166452240) is 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccc(F)c1-c1nccc2c1CN(c1cccc([C@H]3CC[C@@H](O)C3)n1)C2=O.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is VBLYNTXTDXVULX-LSDHHAIUSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-31-20-6-2-4-18(25)22(20)23-17-13-28(24(30)16(17)10-11-26-23)21-7-3-5-19(27-21)14-8-9-15(29)12-14/h2-7,10-11,14-15,29H,8-9,12-13H2,1H3/t14-,15+/m0/s1.
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 419.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166452240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).