3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid

C34H29F3N8O3 — CID 11527531

IUPAC3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1[nH]ccc2nc(-c3ccc(CN4CCN(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C32H28N8O.C2HF3O2/c41-31-26-20-25(23-6-2-1-3-7-23)29(35-27(26)13-15-34-31)24-11-9-22(10-12-24)21-39-16-18-40(19-17-39)32-36-30(37-38-32)28-8-4-5-14-33-28;3-2(4,5)1(6)7/h1-15,20H,16-19,21H2,(H,34,41)(H,36,37,38);(H,6,7)
InChIKeyRQZSHKYIBYXNNK-UHFFFAOYSA-N
MW654.65 g/mol
LogP5.39
Rot. Bonds6

About 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid

3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid (PubChem CID 11527531) has the molecular formula C34H29F3N8O3 and a molecular weight of 654.65 g/mol. Its IUPAC name is 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
PubChem CID11527531
Molecular FormulaC34H29F3N8O3
Molecular Weight654.65 g/mol
Exact Mass654.23
IUPAC Name3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1[nH]ccc2nc(-c3ccc(CN4CCN(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C32H28N8O.C2HF3O2/c41-31-26-20-25(23-6-2-1-3-7-23)29(35-27(26)13-15-34-31)24-11-9-22(10-12-24)21-39-16-18-40(19-17-39)32-36-30(37-38-32)28-8-4-5-14-33-28;3-2(4,5)1(6)7/h1-15,20H,16-19,21H2,(H,34,41)(H,36,37,38);(H,6,7)
InChIKeyRQZSHKYIBYXNNK-UHFFFAOYSA-N
XLogP5.39
TPSA143.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.65
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

5-methoxy-3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-1,6-naphthyridine;2,2,2-trifluoroacetic acid
CID 11578363
3-phenyl-2-[4-[[4-(1-pyridin-2-ylimidazol-4-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 11714410
2-[4-[[4-fluoro-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 11534157
3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 11607100
3-phenyl-2-[4-[(4-prop-2-enoylpiperazin-1-yl)methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 177349433
3-phenyl-2-[4-[[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 11663661
2-[4-[(4-ethenylsulfanylpiperazin-1-yl)methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 177349423
2-[4-[[3-[4-(dimethylamino)phenyl]pyrrolidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 11527352
4-[4-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-1,4-diazepan-1-yl]pyrimidine-2-carbonitrile
CID 177349912
2-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-ylmethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 143309013
1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 11621519
2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide
CID 87251881

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid (CID 11527531) is 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=c1[nH]ccc2nc(-c3ccc(CN4CCN(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid?
The InChIKey is RQZSHKYIBYXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N8O.C2HF3O2/c41-31-26-20-25(23-6-2-1-3-7-23)29(35-27(26)13-15-34-31)24-11-9-22(10-12-24)21-39-16-18-40(19-17-39)32-36-30(37-38-32)28-8-4-5-14-33-28;3-2(4,5)1(6)7/h1-15,20H,16-19,21H2,(H,34,41)(H,36,37,38);(H,6,7).
What are the key properties of 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid?
3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid has a molecular weight of 654.65 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11527531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).