N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide

C24H20F3N5OS — CID 89033976

IUPACN-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1nc(CN2CCCC2)cs1)c1ccc2cncc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C24H20F3N5OS/c25-24(26,27)17-5-3-4-15(10-17)19-12-28-11-16-6-7-20(30-21(16)19)22(33)31-23-29-18(14-34-23)13-32-8-1-2-9-32/h3-7,10-12,14H,1-2,8-9,13H2,(H,29,31,33)
InChIKeySCGVTESYALTQGC-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.62
Rot. Bonds5

About N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide

N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 89033976) has the molecular formula C24H20F3N5OS and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID89033976
Molecular FormulaC24H20F3N5OS
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC NameN-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1nc(CN2CCCC2)cs1)c1ccc2cncc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C24H20F3N5OS/c25-24(26,27)17-5-3-4-15(10-17)19-12-28-11-16-6-7-20(30-21(16)19)22(33)31-23-29-18(14-34-23)13-32-8-1-2-9-32/h3-7,10-12,14H,1-2,8-9,13H2,(H,29,31,33)
InChIKeySCGVTESYALTQGC-UHFFFAOYSA-N
XLogP5.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide (CID 89033976) is N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide is O=C(Nc1nc(CN2CCCC2)cs1)c1ccc2cncc(-c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is SCGVTESYALTQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5OS/c25-24(26,27)17-5-3-4-15(10-17)19-12-28-11-16-6-7-20(30-21(16)19)22(33)31-23-29-18(14-34-23)13-32-8-1-2-9-32/h3-7,10-12,14H,1-2,8-9,13H2,(H,29,31,33).
What are the key properties of N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 89033976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).