2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C25H25N5O3 — CID 135993984

IUPAC2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc54)[nH]c(=O)c32)cc1
InChIInChI=1S/C25H25N5O3/c1-14(2)15-7-9-17(10-8-15)26-23(32)18-13-20(31)27-22-21(18)24(33)29-25(28-22)30-12-11-16-5-3-4-6-19(16)30/h3-10,14,18H,11-13H2,1-2H3,(H,26,32)(H2,27,28,29,31,33)
InChIKeyBQMNJRKUDBCCKA-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.65
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135993984) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135993984
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc54)[nH]c(=O)c32)cc1
InChIInChI=1S/C25H25N5O3/c1-14(2)15-7-9-17(10-8-15)26-23(32)18-13-20(31)27-22-21(18)24(33)29-25(28-22)30-12-11-16-5-3-4-6-19(16)30/h3-10,14,18H,11-13H2,1-2H3,(H,26,32)(H2,27,28,29,31,33)
InChIKeyBQMNJRKUDBCCKA-UHFFFAOYSA-N
XLogP3.65
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135993984) is 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc54)[nH]c(=O)c32)cc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BQMNJRKUDBCCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-14(2)15-7-9-17(10-8-15)26-23(32)18-13-20(31)27-22-21(18)24(33)29-25(28-22)30-12-11-16-5-3-4-6-19(16)30/h3-10,14,18H,11-13H2,1-2H3,(H,26,32)(H2,27,28,29,31,33).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135993984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).