2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one

C17H18FN3O — CID 134176768

IUPAC2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN1Cc2c(ccnc2N[C@@H](C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H18FN3O/c1-3-21-10-15-14(17(21)22)8-9-19-16(15)20-11(2)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyQVQSFMWQRKHSEM-NSHDSACASA-N
MW299.35 g/mol
LogP3.37
Rot. Bonds4

About 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one

2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134176768) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134176768
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN1Cc2c(ccnc2N[C@@H](C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H18FN3O/c1-3-21-10-15-14(17(21)22)8-9-19-16(15)20-11(2)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyQVQSFMWQRKHSEM-NSHDSACASA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-[[(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176891
2-ethyl-4-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176751
2-ethyl-4-[1-[3-fluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]ethylamino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174229166
4-[1-[4-(2-tert-butyl-4-pyridinyl)-3-fluorophenyl]ethylamino]-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174228771
4-[[(1S)-1-[4-[(cyclohexylamino)-hydroxymethyl]-3-fluorophenyl]ethyl]amino]-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 139426654
2-ethyl-4-[1-[3-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)oxy]phenyl]ethylamino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174229087
4-[1-[4-(2-tert-butyl-5-fluoro-4-pyridinyl)-2,5-difluorophenyl]ethylamino]-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174228949
2-benzyl-4-[1-[4-(4-methylphenoxy)phenyl]ethylamino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134177155
2-[(4-methoxyphenyl)methyl]-4-(1-phenylethylamino)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176581
4-[1-[2,5-difluoro-4-[4-(1,1,1-trifluorobut-2-en-2-yl)-2-pyridinyl]phenyl]ethylamino]-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174229217
6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176760
4-[1-[4-(2-tert-butyl-4-pyridinyl)-3-fluorophenyl]ethylamino]-2-(1,3-difluoropropan-2-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174228791

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134176768) is 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one is CCN1Cc2c(ccnc2N[C@@H](C)c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is QVQSFMWQRKHSEM-NSHDSACASA-N. The full InChI is InChI=1S/C17H18FN3O/c1-3-21-10-15-14(17(21)22)8-9-19-16(15)20-11(2)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 299.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134176768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).