5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde

C20H15N7O — CID 57493629

IUPAC5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde
SMILESNc1nccc(Nc2cc(-c3ccc4[nH]cc(C=O)c4c3)c3[nH]ncc3c2)n1
InChIInChI=1S/C20H15N7O/c21-20-22-4-3-18(26-20)25-14-5-12-9-24-27-19(12)16(7-14)11-1-2-17-15(6-11)13(10-28)8-23-17/h1-10,23H,(H,24,27)(H3,21,22,25,26)
InChIKeyLCQGCVQHZXOWSI-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.64
Rot. Bonds4

About 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde

5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde (PubChem CID 57493629) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde
PubChem CID57493629
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde
SMILESNc1nccc(Nc2cc(-c3ccc4[nH]cc(C=O)c4c3)c3[nH]ncc3c2)n1
InChIInChI=1S/C20H15N7O/c21-20-22-4-3-18(26-20)25-14-5-12-9-24-27-19(12)16(7-14)11-1-2-17-15(6-11)13(10-28)8-23-17/h1-10,23H,(H,24,27)(H3,21,22,25,26)
InChIKeyLCQGCVQHZXOWSI-UHFFFAOYSA-N
XLogP3.64
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde 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 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde?
The IUPAC name of 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde (CID 57493629) is 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde is Nc1nccc(Nc2cc(-c3ccc4[nH]cc(C=O)c4c3)c3[nH]ncc3c2)n1.
What is the InChIKey of 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde?
The InChIKey is LCQGCVQHZXOWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c21-20-22-4-3-18(26-20)25-14-5-12-9-24-27-19(12)16(7-14)11-1-2-17-15(6-11)13(10-28)8-23-17/h1-10,23H,(H,24,27)(H3,21,22,25,26).
What are the key properties of 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde?
5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde has a molecular weight of 369.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-7-yl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 57493629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).