3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one

C32H28N8O — CID 11607100

IUPAC3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]ccc2nc(-c3ccc(CN4CCC(n5nnc(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C32H28N8O/c41-32-27-20-26(23-6-2-1-3-7-23)30(35-28(27)13-17-34-32)24-11-9-22(10-12-24)21-39-18-14-25(15-19-39)40-37-31(36-38-40)29-8-4-5-16-33-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,34,41)
InChIKeyVEJAGLDHJVHMPQ-UHFFFAOYSA-N
MW540.63 g/mol
LogP5.14
Rot. Bonds6

About 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one

3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one (PubChem CID 11607100) has the molecular formula C32H28N8O and a molecular weight of 540.63 g/mol. Its IUPAC name is 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
PubChem CID11607100
Molecular FormulaC32H28N8O
Molecular Weight540.63 g/mol
Exact Mass540.24
IUPAC Name3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]ccc2nc(-c3ccc(CN4CCC(n5nnc(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C32H28N8O/c41-32-27-20-26(23-6-2-1-3-7-23)30(35-28(27)13-17-34-32)24-11-9-22(10-12-24)21-39-18-14-25(15-19-39)40-37-31(36-38-40)29-8-4-5-16-33-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,34,41)
InChIKeyVEJAGLDHJVHMPQ-UHFFFAOYSA-N
XLogP5.14
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-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-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
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-(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
2-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 11555530
1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 11621519
2-[4-[(4-ethenylsulfanylpiperazin-1-yl)methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 177349423
3-phenyl-2-[4-[(4-prop-2-enoylpiperazin-1-yl)methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 177349433
1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea
CID 59846146
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-[[3-[4-(dimethylamino)phenyl]pyrrolidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 11527352

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one (CID 11607100) is 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one is O=c1[nH]ccc2nc(-c3ccc(CN4CCC(n5nnc(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one?
The InChIKey is VEJAGLDHJVHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N8O/c41-32-27-20-26(23-6-2-1-3-7-23)30(35-28(27)13-17-34-32)24-11-9-22(10-12-24)21-39-18-14-25(15-19-39)40-37-31(36-38-40)29-8-4-5-16-33-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,34,41).
What are the key properties of 3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one?
3-phenyl-2-[4-[[4-(5-pyridin-2-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one has a molecular weight of 540.63 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 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-yltetrazol-2-yl)piperidin-1-yl]methyl]phenyl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 11607100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).