3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine

C28H16F2N4S — CID 134693568

IUPAC3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine
SMILESFc1ccc(-c2cc3cccnc3nc2Sc2nc3ncccc3cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H16F2N4S/c29-21-9-5-17(6-10-21)23-15-19-3-1-13-31-25(19)33-27(23)35-28-24(18-7-11-22(30)12-8-18)16-20-4-2-14-32-26(20)34-28/h1-16H
InChIKeyKNBKQZWCPGCXIE-UHFFFAOYSA-N
MW478.53 g/mol
LogP7.34
Rot. Bonds4

About 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine

3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine (PubChem CID 134693568) has the molecular formula C28H16F2N4S and a molecular weight of 478.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine
PubChem CID134693568
Molecular FormulaC28H16F2N4S
Molecular Weight478.53 g/mol
Exact Mass478.11
IUPAC Name3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine
SMILESFc1ccc(-c2cc3cccnc3nc2Sc2nc3ncccc3cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H16F2N4S/c29-21-9-5-17(6-10-21)23-15-19-3-1-13-31-25(19)33-27(23)35-28-24(18-7-11-22(30)12-8-18)16-20-4-2-14-32-26(20)34-28/h1-16H
InChIKeyKNBKQZWCPGCXIE-UHFFFAOYSA-N
XLogP7.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine with MolForge

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Related Compounds

2-Pyridin-4-yl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596632
4-(4-Benzyl-piperazin-1-yl)-2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
CID 89596195
2-Pyridin-4-yl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596313
2-Pyridin-4-yl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596322
4-[4-(2-Phenylethyl)piperazin-1-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 89596328
1-[5-(4-Fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-4-(pyridin-2-yl)piperazine
CID 1277427
6-(2-Pyridinyl)diquinothiazine
CID 16680180
2,7-Bis(di-2-pyridylfluoromethyl)-1,8-naphthyridine
CID 102367352
US20240109900, Example 395
CID 171410143
US20240109900, Example 385
CID 171410155
3-(4-Fluorophenyl)-1,8-naphthyridine
CID 132535081
Bis{3-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-yl}sulfane
CID 134693599

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine (CID 134693568) is 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine is Fc1ccc(-c2cc3cccnc3nc2Sc2nc3ncccc3cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine?
The InChIKey is KNBKQZWCPGCXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F2N4S/c29-21-9-5-17(6-10-21)23-15-19-3-1-13-31-25(19)33-27(23)35-28-24(18-7-11-22(30)12-8-18)16-20-4-2-14-32-26(20)34-28/h1-16H.
What are the key properties of 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine?
3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine has a molecular weight of 478.53 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-1,8-naphthyridin-2-yl]sulfanyl]-1,8-naphthyridine is sourced from PubChem (CID 134693568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).