1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C25H21N5O3 — CID 52710894

IUPAC1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCc2ccccc21)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C25H21N5O3/c31-23(16-13-18-22(26-14-16)30(17-9-10-17)25(33)28-24(18)32)27-19-6-2-4-8-21(19)29-12-11-15-5-1-3-7-20(15)29/h1-8,13-14,17H,9-12H2,(H,27,31)(H,28,32,33)
InChIKeyXFNLSJFZGLDEBH-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.37
Rot. Bonds4

About 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 52710894) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID52710894
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCc2ccccc21)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C25H21N5O3/c31-23(16-13-18-22(26-14-16)30(17-9-10-17)25(33)28-24(18)32)27-19-6-2-4-8-21(19)29-12-11-15-5-1-3-7-20(15)29/h1-8,13-14,17H,9-12H2,(H,27,31)(H,28,32,33)
InChIKeyXFNLSJFZGLDEBH-UHFFFAOYSA-N
XLogP3.37
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-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 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 52710894) is 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccccc1N1CCc2ccccc21)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XFNLSJFZGLDEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c31-23(16-13-18-22(26-14-16)30(17-9-10-17)25(33)28-24(18)32)27-19-6-2-4-8-21(19)29-12-11-15-5-1-3-7-20(15)29/h1-8,13-14,17H,9-12H2,(H,27,31)(H,28,32,33).
What are the key properties of 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 52710894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).