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

C24H26N4O2 — CID 134176760

IUPAC6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN1Cc2c(cc(N)nc2N[C@@H](C)c2ccc(Oc3ccc(C)cc3)cc2)C1=O
InChIInChI=1S/C24H26N4O2/c1-4-28-14-21-20(24(28)29)13-22(25)27-23(21)26-16(3)17-7-11-19(12-8-17)30-18-9-5-15(2)6-10-18/h5-13,16H,4,14H2,1-3H3,(H3,25,26,27)/t16-/m0/s1
InChIKeyPNOFGZLEDVSUPP-INIZCTEOSA-N
MW402.50 g/mol
LogP4.91
Rot. Bonds6

About 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one

6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134176760) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134176760
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN1Cc2c(cc(N)nc2N[C@@H](C)c2ccc(Oc3ccc(C)cc3)cc2)C1=O
InChIInChI=1S/C24H26N4O2/c1-4-28-14-21-20(24(28)29)13-22(25)27-23(21)26-16(3)17-7-11-19(12-8-17)30-18-9-5-15(2)6-10-18/h5-13,16H,4,14H2,1-3H3,(H3,25,26,27)/t16-/m0/s1
InChIKeyPNOFGZLEDVSUPP-INIZCTEOSA-N
XLogP4.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-benzyl-4-[1-[4-(4-methylphenoxy)phenyl]ethylamino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134177155
N-[2-ethyl-4-[[4-(4-methylphenoxy)phenyl]methylamino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 134176742
2-ethyl-4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176768
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-4-pyridinyl)-3-fluorophenyl]ethylamino]-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174228771
2-[(4-methoxyphenyl)methyl]-4-(1-phenylethylamino)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176581
2-ethyl-4-[1-[3-fluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]ethylamino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174229166
(3E,4Z)-1-ethyl-4-[1-[[(1S)-1-[6-(4-methylphenoxy)-3-pyridinyl]ethyl]amino]ethylidene]-3-propylidenepyrrolidin-2-one
CID 167039811
2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine
CID 80652605
6-amino-1-ethyl-5-[1-(4-methylphenyl)ethylamino]pyrimidine-2,4-dione
CID 60967574

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134176760) is 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one is CCN1Cc2c(cc(N)nc2N[C@@H](C)c2ccc(Oc3ccc(C)cc3)cc2)C1=O.
What is the InChIKey of 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is PNOFGZLEDVSUPP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-4-28-14-21-20(24(28)29)13-22(25)27-23(21)26-16(3)17-7-11-19(12-8-17)30-18-9-5-15(2)6-10-18/h5-13,16H,4,14H2,1-3H3,(H3,25,26,27)/t16-/m0/s1.
What are the key properties of 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one?
6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 402.50 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethyl-4-[[(1S)-1-[4-(4-methylphenoxy)phenyl]ethyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134176760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).