N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C27H23FN4O2S — CID 42322377

IUPACN-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)c1cccc(-c3cccc(F)c3)c1)C2
InChIInChI=1S/C27H23FN4O2S/c1-17-24(13-31-26(33)25-14-29-16-35-25)23-8-9-32(15-21(23)12-30-17)27(34)20-6-2-4-18(10-20)19-5-3-7-22(28)11-19/h2-7,10-12,14,16H,8-9,13,15H2,1H3,(H,31,33)
InChIKeyWLXSNQOIFNYLPR-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.78
Rot. Bonds5

About N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 42322377) has the molecular formula C27H23FN4O2S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID42322377
Molecular FormulaC27H23FN4O2S
Molecular Weight486.57 g/mol
Exact Mass486.15
IUPAC NameN-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)c1cccc(-c3cccc(F)c3)c1)C2
InChIInChI=1S/C27H23FN4O2S/c1-17-24(13-31-26(33)25-14-29-16-35-25)23-8-9-32(15-21(23)12-30-17)27(34)20-6-2-4-18(10-20)19-5-3-7-22(28)11-19/h2-7,10-12,14,16H,8-9,13,15H2,1H3,(H,31,33)
InChIKeyWLXSNQOIFNYLPR-UHFFFAOYSA-N
XLogP4.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 42322377) is N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)c1cccc(-c3cccc(F)c3)c1)C2.
What is the InChIKey of N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WLXSNQOIFNYLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2S/c1-17-24(13-31-26(33)25-14-29-16-35-25)23-8-9-32(15-21(23)12-30-17)27(34)20-6-2-4-18(10-20)19-5-3-7-22(28)11-19/h2-7,10-12,14,16H,8-9,13,15H2,1H3,(H,31,33).
What are the key properties of N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[3-(3-fluorophenyl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42322377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).