2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine

C13H8ClN7 — CID 20626340

IUPAC2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine
SMILESClc1nc(Nc2n[nH]c3ccccc23)c2cncnc2n1
InChIInChI=1S/C13H8ClN7/c14-13-18-10-8(5-15-6-16-10)11(19-13)17-12-7-3-1-2-4-9(7)20-21-12/h1-6H,(H2,15,16,17,18,19,20,21)
InChIKeyGUHATTYINZQPOJ-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine

2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine (PubChem CID 20626340) has the molecular formula C13H8ClN7 and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine
PubChem CID20626340
Molecular FormulaC13H8ClN7
Molecular Weight297.71 g/mol
Exact Mass297.05
IUPAC Name2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine
SMILESClc1nc(Nc2n[nH]c3ccccc23)c2cncnc2n1
InChIInChI=1S/C13H8ClN7/c14-13-18-10-8(5-15-6-16-10)11(19-13)17-12-7-3-1-2-4-9(7)20-21-12/h1-6H,(H2,15,16,17,18,19,20,21)
InChIKeyGUHATTYINZQPOJ-UHFFFAOYSA-N
XLogP2.69
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-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 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine (CID 20626340) is 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine is Clc1nc(Nc2n[nH]c3ccccc23)c2cncnc2n1.
What is the InChIKey of 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine?
The InChIKey is GUHATTYINZQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN7/c14-13-18-10-8(5-15-6-16-10)11(19-13)17-12-7-3-1-2-4-9(7)20-21-12/h1-6H,(H2,15,16,17,18,19,20,21).
What are the key properties of 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine?
2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine has a molecular weight of 297.71 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine is sourced from PubChem (CID 20626340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).