8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine

C34H32N10 — CID 143370915

IUPAC8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
SMILESNc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(C7C=CC=CN7)n6)CC5)cc4)nc3ccn12
InChIInChI=1S/C34H32N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25,29,36H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40)
InChIKeyQIODNBHNYAAJQR-UHFFFAOYSA-N
MW580.70 g/mol
LogP5.41
Rot. Bonds6

About 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine

8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine (PubChem CID 143370915) has the molecular formula C34H32N10 and a molecular weight of 580.70 g/mol. Its IUPAC name is 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine.

Molecular Properties

Compound Name8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
PubChem CID143370915
Molecular FormulaC34H32N10
Molecular Weight580.70 g/mol
Exact Mass580.28
IUPAC Name8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
SMILESNc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(C7C=CC=CN7)n6)CC5)cc4)nc3ccn12
InChIInChI=1S/C34H32N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25,29,36H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40)
InChIKeyQIODNBHNYAAJQR-UHFFFAOYSA-N
XLogP5.41
TPSA125.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine?
The IUPAC name of 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine (CID 143370915) is 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine.
What is the SMILES notation for 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine?
The canonical SMILES for 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine is Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(C7C=CC=CN7)n6)CC5)cc4)nc3ccn12.
What is the InChIKey of 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine?
The InChIKey is QIODNBHNYAAJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25,29,36H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40).
What are the key properties of 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine?
8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine has a molecular weight of 580.70 g/mol, XLogP of 5.41, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[4-[5-(1,2-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine is sourced from PubChem (CID 143370915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).