4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

C19H16N8 — CID 89329526

IUPAC4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc4cn[nH]c34)cc2c1
InChIInChI=1S/C19H16N8/c20-12-1-2-15-10(5-12)7-16(25-15)14-8-13(6-11-9-23-27-18(11)14)24-17-3-4-22-19(21)26-17/h1-9,25H,20H2,(H,23,27)(H3,21,22,24,26)
InChIKeyAOBZVBIXZKATCW-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.41
Rot. Bonds3

About 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 89329526) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
PubChem CID89329526
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc4cn[nH]c34)cc2c1
InChIInChI=1S/C19H16N8/c20-12-1-2-15-10(5-12)7-16(25-15)14-8-13(6-11-9-23-27-18(11)14)24-17-3-4-22-19(21)26-17/h1-9,25H,20H2,(H,23,27)(H3,21,22,24,26)
InChIKeyAOBZVBIXZKATCW-UHFFFAOYSA-N
XLogP3.41
TPSA134.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (CID 89329526) is 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is Nc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc4cn[nH]c34)cc2c1.
What is the InChIKey of 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is AOBZVBIXZKATCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c20-12-1-2-15-10(5-12)7-16(25-15)14-8-13(6-11-9-23-27-18(11)14)24-17-3-4-22-19(21)26-17/h1-9,25H,20H2,(H,23,27)(H3,21,22,24,26).
What are the key properties of 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 356.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 89329526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).