5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C17H15ClN6O2 — CID 70720296

IUPAC5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1nc(-c2nccn2CCc2c[nH]c(=O)[nH]c2=O)c2c(Cl)cccc21
InChIInChI=1S/C17H15ClN6O2/c1-23-12-4-2-3-11(18)13(12)14(22-23)15-19-6-8-24(15)7-5-10-9-20-17(26)21-16(10)25/h2-4,6,8-9H,5,7H2,1H3,(H2,20,21,25,26)
InChIKeyQRFHDUYZTKGUJU-UHFFFAOYSA-N
MW370.80 g/mol
LogP1.71
Rot. Bonds4

About 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione

5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70720296) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID70720296
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1nc(-c2nccn2CCc2c[nH]c(=O)[nH]c2=O)c2c(Cl)cccc21
InChIInChI=1S/C17H15ClN6O2/c1-23-12-4-2-3-11(18)13(12)14(22-23)15-19-6-8-24(15)7-5-10-9-20-17(26)21-16(10)25/h2-4,6,8-9H,5,7H2,1H3,(H2,20,21,25,26)
InChIKeyQRFHDUYZTKGUJU-UHFFFAOYSA-N
XLogP1.71
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-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

(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 95558582
4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
CID 70774818
[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine
CID 155508699
N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide
CID 123892807
N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine
CID 84689488
2-(2,3-dichlorophenyl)-1-methylimidazole
CID 110540593
5-chloro-1-ethylquinazolin-4-one
CID 171104503
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
4-chloro-3-isocyanato-1-methylindazole
CID 83916610
3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
CID 134842555
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 70720296) is 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cn1nc(-c2nccn2CCc2c[nH]c(=O)[nH]c2=O)c2c(Cl)cccc21.
What is the InChIKey of 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QRFHDUYZTKGUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2/c1-23-12-4-2-3-11(18)13(12)14(22-23)15-19-6-8-24(15)7-5-10-9-20-17(26)21-16(10)25/h2-4,6,8-9H,5,7H2,1H3,(H2,20,21,25,26).
What are the key properties of 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 370.80 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70720296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).