1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile

C25H20FN5O2S — CID 59699682

IUPAC1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C25H20FN5O2S/c26-18-5-1-4-17(14-18)16-31-20-6-2-8-28-22(20)23(19(15-27)24(31)32)29-9-11-30(12-10-29)25(33)21-7-3-13-34-21/h1-8,13-14H,9-12,16H2
InChIKeySOGADARSJLLWDG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.48
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile

1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile (PubChem CID 59699682) has the molecular formula C25H20FN5O2S and a molecular weight of 473.53 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
PubChem CID59699682
Molecular FormulaC25H20FN5O2S
Molecular Weight473.53 g/mol
Exact Mass473.13
IUPAC Name1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C25H20FN5O2S/c26-18-5-1-4-17(14-18)16-31-20-6-2-8-28-22(20)23(19(15-27)24(31)32)29-9-11-30(12-10-29)25(33)21-7-3-13-34-21/h1-8,13-14H,9-12,16H2
InChIKeySOGADARSJLLWDG-UHFFFAOYSA-N
XLogP3.48
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 5370237
CID 5370237
CID 9945439
CID 9945439
CID 10108923
CID 10108923
CID 25265257
CID 25265257
CID 42606103
CID 42606103
CID 42606104
CID 42606104
CID 42606105
CID 42606105
CID 42606106
CID 42606106
CID 42606107
CID 42606107
CID 42606218
CID 42606218
CID 42606219
CID 42606219
CID 42606221
CID 42606221

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile (CID 59699682) is 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile is N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2n(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?
The InChIKey is SOGADARSJLLWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2S/c26-18-5-1-4-17(14-18)16-31-20-6-2-8-28-22(20)23(19(15-27)24(31)32)29-9-11-30(12-10-29)25(33)21-7-3-13-34-21/h1-8,13-14H,9-12,16H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?
1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile has a molecular weight of 473.53 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 59699682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).