4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide

C24H22FN7O4 — CID 135451034

IUPAC4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C(=O)C1
InChIInChI=1S/C24H22FN7O4/c1-30(2)24(35)31-10-11-32(18(33)13-31)22-16-4-3-9-26-19(16)21(34)20(27-22)23-29-28-17(36-23)12-14-5-7-15(25)8-6-14/h3-9,34H,10-13H2,1-2H3
InChIKeySZDOFGXOMUUDOV-UHFFFAOYSA-N
MW491.48 g/mol
LogP2.45
Rot. Bonds4

About 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide

4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 135451034) has the molecular formula C24H22FN7O4 and a molecular weight of 491.48 g/mol. Its IUPAC name is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID135451034
Molecular FormulaC24H22FN7O4
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C(=O)C1
InChIInChI=1S/C24H22FN7O4/c1-30(2)24(35)31-10-11-32(18(33)13-31)22-16-4-3-9-26-19(16)21(34)20(27-22)23-29-28-17(36-23)12-14-5-7-15(25)8-6-14/h3-9,34H,10-13H2,1-2H3
InChIKeySZDOFGXOMUUDOV-UHFFFAOYSA-N
XLogP2.45
TPSA128.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide (CID 135451034) is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C(=O)C1.
What is the InChIKey of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is SZDOFGXOMUUDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O4/c1-30(2)24(35)31-10-11-32(18(33)13-31)22-16-4-3-9-26-19(16)21(34)20(27-22)23-29-28-17(36-23)12-14-5-7-15(25)8-6-14/h3-9,34H,10-13H2,1-2H3.
What are the key properties of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide?
4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 491.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 135451034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).