N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine

C18H14ClN5 — CID 70682820

IUPACN-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine
SMILESCn1nc(-c2ccnc(Nc3ccc(Cl)cc3)n2)c2ccccc21
InChIInChI=1S/C18H14ClN5/c1-24-16-5-3-2-4-14(16)17(23-24)15-10-11-20-18(22-15)21-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,21,22)
InChIKeyIDABDBCUURQFQP-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.43
Rot. Bonds3

About N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine

N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine (PubChem CID 70682820) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine
PubChem CID70682820
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC NameN-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine
SMILESCn1nc(-c2ccnc(Nc3ccc(Cl)cc3)n2)c2ccccc21
InChIInChI=1S/C18H14ClN5/c1-24-16-5-3-2-4-14(16)17(23-24)15-10-11-20-18(22-15)21-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,21,22)
InChIKeyIDABDBCUURQFQP-UHFFFAOYSA-N
XLogP4.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine 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 N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine (CID 70682820) is N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine is Cn1nc(-c2ccnc(Nc3ccc(Cl)cc3)n2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine?
The InChIKey is IDABDBCUURQFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-24-16-5-3-2-4-14(16)17(23-24)15-10-11-20-18(22-15)21-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,21,22).
What are the key properties of N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine?
N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine has a molecular weight of 335.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 70682820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).