4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine

C21H16N6 — CID 46224666

IUPAC4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1
InChIInChI=1S/C21H16N6/c22-21-23-8-7-19(26-21)25-17-10-16-12-24-27-20(16)18(11-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-12H,(H,24,27)(H3,22,23,25,26)
InChIKeyQFBSSUZRFADVOK-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.50
Rot. Bonds3

About 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine

4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 46224666) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
PubChem CID46224666
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1
InChIInChI=1S/C21H16N6/c22-21-23-8-7-19(26-21)25-17-10-16-12-24-27-20(16)18(11-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-12H,(H,24,27)(H3,22,23,25,26)
InChIKeyQFBSSUZRFADVOK-UHFFFAOYSA-N
XLogP4.50
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine (CID 46224666) is 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine is Nc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1.
What is the InChIKey of 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is QFBSSUZRFADVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c22-21-23-8-7-19(26-21)25-17-10-16-12-24-27-20(16)18(11-17)15-6-5-13-3-1-2-4-14(13)9-15/h1-12H,(H,24,27)(H3,22,23,25,26).
What are the key properties of 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine?
4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 352.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-naphthalen-2-yl-1H-indazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 46224666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).