6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C21H18N6O4 — CID 167934753

IUPAC6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H18N6O4/c28-18-14-9-13(11-22-17(14)24-21(31)25-18)19(29)26-5-7-27(8-6-26)20(30)16-10-12-3-1-2-4-15(12)23-16/h1-4,9-11,23H,5-8H2,(H2,22,24,25,28,31)
InChIKeyDOBZEHUQQGEESO-UHFFFAOYSA-N
MW418.41 g/mol
LogP0.69
Rot. Bonds2

About 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 167934753) has the molecular formula C21H18N6O4 and a molecular weight of 418.41 g/mol. Its IUPAC name is 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID167934753
Molecular FormulaC21H18N6O4
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC Name6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H18N6O4/c28-18-14-9-13(11-22-17(14)24-21(31)25-18)19(29)26-5-7-27(8-6-26)20(30)16-10-12-3-1-2-4-15(12)23-16/h1-4,9-11,23H,5-8H2,(H2,22,24,25,28,31)
InChIKeyDOBZEHUQQGEESO-UHFFFAOYSA-N
XLogP0.69
TPSA135.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 165416240
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 154835826
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 155950361
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037
6-[2-(4-fluorophenyl)-6-phenylmorpholine-4-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 167946569
1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-2-yl)ethane-1,2-dione
CID 10269957

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 167934753) is 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DOBZEHUQQGEESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4/c28-18-14-9-13(11-22-17(14)24-21(31)25-18)19(29)26-5-7-27(8-6-26)20(30)16-10-12-3-1-2-4-15(12)23-16/h1-4,9-11,23H,5-8H2,(H2,22,24,25,28,31).
What are the key properties of 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 418.41 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167934753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).