[4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine

C32H26N6 — CID 58524244

IUPAC[4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccnc(-c4n[nH]c(C5Cc6ccccc6C5)n4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C32H26N6/c33-19-20-10-12-22(13-11-20)29-26(21-6-2-1-3-7-21)18-27-28(35-29)14-15-34-30(27)32-36-31(37-38-32)25-16-23-8-4-5-9-24(23)17-25/h1-15,18,25H,16-17,19,33H2,(H,36,37,38)
InChIKeyBNPBHDMJYQLIGN-UHFFFAOYSA-N
MW494.60 g/mol
LogP6.09
Rot. Bonds5

About [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine

[4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine (PubChem CID 58524244) has the molecular formula C32H26N6 and a molecular weight of 494.60 g/mol. Its IUPAC name is [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
PubChem CID58524244
Molecular FormulaC32H26N6
Molecular Weight494.60 g/mol
Exact Mass494.22
IUPAC Name[4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccnc(-c4n[nH]c(C5Cc6ccccc6C5)n4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C32H26N6/c33-19-20-10-12-22(13-11-20)29-26(21-6-2-1-3-7-21)18-27-28(35-29)14-15-34-30(27)32-36-31(37-38-32)25-16-23-8-4-5-9-24(23)17-25/h1-15,18,25H,16-17,19,33H2,(H,36,37,38)
InChIKeyBNPBHDMJYQLIGN-UHFFFAOYSA-N
XLogP6.09
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine (CID 58524244) is [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine is NCc1ccc(-c2nc3ccnc(-c4n[nH]c(C5Cc6ccccc6C5)n4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine?
The InChIKey is BNPBHDMJYQLIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6/c33-19-20-10-12-22(13-11-20)29-26(21-6-2-1-3-7-21)18-27-28(35-29)14-15-34-30(27)32-36-31(37-38-32)25-16-23-8-4-5-9-24(23)17-25/h1-15,18,25H,16-17,19,33H2,(H,36,37,38).
What are the key properties of [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine?
[4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine has a molecular weight of 494.60 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[5-(2,3-dihydro-1H-inden-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine is sourced from PubChem (CID 58524244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).