6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C19H24FN5O2 — CID 53250219

IUPAC6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCCOC[C@H](N)CNc1nc(Nc2cccc(C)c2)c2c(c1F)CNC2=O
InChIInChI=1S/C19H24FN5O2/c1-3-27-10-12(21)8-22-18-16(20)14-9-23-19(26)15(14)17(25-18)24-13-6-4-5-11(2)7-13/h4-7,12H,3,8-10,21H2,1-2H3,(H,23,26)(H2,22,24,25)/t12-/m1/s1
InChIKeyVFYIMFKQSSVIKO-GFCCVEGCSA-N
MW373.43 g/mol
LogP2.29
Rot. Bonds8

About 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 53250219) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID53250219
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCCOC[C@H](N)CNc1nc(Nc2cccc(C)c2)c2c(c1F)CNC2=O
InChIInChI=1S/C19H24FN5O2/c1-3-27-10-12(21)8-22-18-16(20)14-9-23-19(26)15(14)17(25-18)24-13-6-4-5-11(2)7-13/h4-7,12H,3,8-10,21H2,1-2H3,(H,23,26)(H2,22,24,25)/t12-/m1/s1
InChIKeyVFYIMFKQSSVIKO-GFCCVEGCSA-N
XLogP2.29
TPSA101.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
CID 53251797
6-((1R,2S)-2-Aminocyclohexylamino)-7-chloro-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53250672
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
CID 53250673
6-((1R,2S)-2-Aminocyclohexylamino)-7-fluoro-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53252274
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
6-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251953
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-methyl-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 58317600
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
6-((R)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118038598
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(2,6-dimethyl-morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043167
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043313

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 53250219) is 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is CCOC[C@H](N)CNc1nc(Nc2cccc(C)c2)c2c(c1F)CNC2=O.
What is the InChIKey of 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is VFYIMFKQSSVIKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-3-27-10-12(21)8-22-18-16(20)14-9-23-19(26)15(14)17(25-18)24-13-6-4-5-11(2)7-13/h4-7,12H,3,8-10,21H2,1-2H3,(H,23,26)(H2,22,24,25)/t12-/m1/s1.
What are the key properties of 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 373.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-amino-3-ethoxypropyl]amino]-7-fluoro-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 53250219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).