4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

C19H15N7 — CID 59024147

IUPAC4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(-c3ccc4cc[nH]c4c3)c3[nH]ncc3c2)n1
InChIInChI=1S/C19H15N7/c20-19-22-6-4-17(25-19)24-14-7-13-10-23-26-18(13)15(9-14)12-2-1-11-3-5-21-16(11)8-12/h1-10,21H,(H,23,26)(H3,20,22,24,25)
InChIKeyXWCLDGKMMYJTGT-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.83
Rot. Bonds3

About 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine

4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 59024147) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
PubChem CID59024147
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(-c3ccc4cc[nH]c4c3)c3[nH]ncc3c2)n1
InChIInChI=1S/C19H15N7/c20-19-22-6-4-17(25-19)24-14-7-13-10-23-26-18(13)15(9-14)12-2-1-11-3-5-21-16(11)8-12/h1-10,21H,(H,23,26)(H3,20,22,24,25)
InChIKeyXWCLDGKMMYJTGT-UHFFFAOYSA-N
XLogP3.83
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine (CID 59024147) is 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is Nc1nccc(Nc2cc(-c3ccc4cc[nH]c4c3)c3[nH]ncc3c2)n1.
What is the InChIKey of 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is XWCLDGKMMYJTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c20-19-22-6-4-17(25-19)24-14-7-13-10-23-26-18(13)15(9-14)12-2-1-11-3-5-21-16(11)8-12/h1-10,21H,(H,23,26)(H3,20,22,24,25).
What are the key properties of 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine?
4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 341.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59024147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).