(3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C24H25N5O3 — CID 53299835

IUPAC(3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(c(-c3cccc(-c4cncnc4)c3)n1)[C@@H](CCO)N(C(C)=O)C2
InChIInChI=1S/C24H25N5O3/c1-3-27-24(32)20-10-18-13-29(15(2)31)21(7-8-30)22(18)23(28-20)17-6-4-5-16(9-17)19-11-25-14-26-12-19/h4-6,9-12,14,21,30H,3,7-8,13H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyKYUSNWFIEQEQHP-OAQYLSRUSA-N
MW431.50 g/mol
LogP2.74
Rot. Bonds6

About (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

(3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (PubChem CID 53299835) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
PubChem CID53299835
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name(3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(c(-c3cccc(-c4cncnc4)c3)n1)[C@@H](CCO)N(C(C)=O)C2
InChIInChI=1S/C24H25N5O3/c1-3-27-24(32)20-10-18-13-29(15(2)31)21(7-8-30)22(18)23(28-20)17-6-4-5-16(9-17)19-11-25-14-26-12-19/h4-6,9-12,14,21,30H,3,7-8,13H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyKYUSNWFIEQEQHP-OAQYLSRUSA-N
XLogP2.74
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide 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 (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The IUPAC name of (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CID 53299835) is (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.
What is the SMILES notation for (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The canonical SMILES for (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is CCNC(=O)c1cc2c(c(-c3cccc(-c4cncnc4)c3)n1)[C@@H](CCO)N(C(C)=O)C2.
What is the InChIKey of (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
The InChIKey is KYUSNWFIEQEQHP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-27-24(32)20-10-18-13-29(15(2)31)21(7-8-30)22(18)23(28-20)17-6-4-5-16(9-17)19-11-25-14-26-12-19/h4-6,9-12,14,21,30H,3,7-8,13H2,1-2H3,(H,27,32)/t21-/m1/s1.
What are the key properties of (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?
(3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-acetyl-N-ethyl-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 53299835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).