2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one

C24H28FN5O2 — CID 71555107

IUPAC2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCCCOCc1cnn(C)c1-c1cc2c(cn1)C(=O)N([C@H](CN)Cc1cccc(F)c1)C2
InChIInChI=1S/C24H28FN5O2/c1-3-7-32-15-18-12-28-29(2)23(18)22-10-17-14-30(24(31)21(17)13-27-22)20(11-26)9-16-5-4-6-19(25)8-16/h4-6,8,10,12-13,20H,3,7,9,11,14-15,26H2,1-2H3/t20-/m0/s1
InChIKeyGIXUIPPDLGCDLK-FQEVSTJZSA-N
MW437.52 g/mol
LogP3.07
Rot. Bonds9

About 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one

2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 71555107) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID71555107
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCCCOCc1cnn(C)c1-c1cc2c(cn1)C(=O)N([C@H](CN)Cc1cccc(F)c1)C2
InChIInChI=1S/C24H28FN5O2/c1-3-7-32-15-18-12-28-29(2)23(18)22-10-17-14-30(24(31)21(17)13-27-22)20(11-26)9-16-5-4-6-19(25)8-16/h4-6,8,10,12-13,20H,3,7,9,11,14-15,26H2,1-2H3/t20-/m0/s1
InChIKeyGIXUIPPDLGCDLK-FQEVSTJZSA-N
XLogP3.07
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one (CID 71555107) is 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one is CCCOCc1cnn(C)c1-c1cc2c(cn1)C(=O)N([C@H](CN)Cc1cccc(F)c1)C2.
What is the InChIKey of 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is GIXUIPPDLGCDLK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-3-7-32-15-18-12-28-29(2)23(18)22-10-17-14-30(24(31)21(17)13-27-22)20(11-26)9-16-5-4-6-19(25)8-16/h4-6,8,10,12-13,20H,3,7,9,11,14-15,26H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one?
2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 437.52 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-6-[1-methyl-4-(propoxymethyl)pyrazol-5-yl]-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 71555107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).