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

C25H26FN5O2 — CID 166452365

IUPAC2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc(N3CC[C@@H](N(C)C)C3)n1)C2=O
InChIInChI=1S/C25H26FN5O2/c1-29(2)16-11-13-30(14-16)21-8-5-9-22(28-21)31-15-18-17(25(31)32)10-12-27-24(18)23-19(26)6-4-7-20(23)33-3/h4-10,12,16H,11,13-15H2,1-3H3/t16-/m1/s1
InChIKeyAQGQRVGQOAWTQJ-MRXNPFEDSA-N
MW447.51 g/mol
LogP3.59
Rot. Bonds5

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

2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166452365) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166452365
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(F)c1-c1nccc2c1CN(c1cccc(N3CC[C@@H](N(C)C)C3)n1)C2=O
InChIInChI=1S/C25H26FN5O2/c1-29(2)16-11-13-30(14-16)21-8-5-9-22(28-21)31-15-18-17(25(31)32)10-12-27-24(18)23-19(26)6-4-7-20(23)33-3/h4-10,12,16H,11,13-15H2,1-3H3/t16-/m1/s1
InChIKeyAQGQRVGQOAWTQJ-MRXNPFEDSA-N
XLogP3.59
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 175365711
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
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-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452352
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-[(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
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-3H-isoindol-1-one
CID 175365753
2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405459
2-[2-(3-aminopyrrolidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-fluoro-6-methoxyphenyl)-1-oxo-3H-isoindole-5-carbonitrile
CID 175365739

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 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) is 2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccc(F)c1-c1nccc2c1CN(c1cccc(N3CC[C@@H](N(C)C)C3)n1)C2=O.
What is the InChIKey of 2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is AQGQRVGQOAWTQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-29(2)16-11-13-30(14-16)21-8-5-9-22(28-21)31-15-18-17(25(31)32)10-12-27-24(18)23-19(26)6-4-7-20(23)33-3/h4-10,12,16H,11,13-15H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 447.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166452365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).