4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide

C23H19F4N5O — CID 142580146

IUPAC4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
SMILESO=C(NC1(c2ccc3c(n2)CCCN3c2ccnc(C(F)(F)F)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H19F4N5O/c24-15-5-3-14(4-6-15)20(33)31-22(10-11-22)18-8-7-17-16(29-18)2-1-13-32(17)19-9-12-28-21(30-19)23(25,26)27/h3-9,12H,1-2,10-11,13H2,(H,31,33)
InChIKeyLJWSQXCSHAHBJB-UHFFFAOYSA-N
MW457.43 g/mol
LogP4.53
Rot. Bonds4

About 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide

4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide (PubChem CID 142580146) has the molecular formula C23H19F4N5O and a molecular weight of 457.43 g/mol. Its IUPAC name is 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
PubChem CID142580146
Molecular FormulaC23H19F4N5O
Molecular Weight457.43 g/mol
Exact Mass457.15
IUPAC Name4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
SMILESO=C(NC1(c2ccc3c(n2)CCCN3c2ccnc(C(F)(F)F)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H19F4N5O/c24-15-5-3-14(4-6-15)20(33)31-22(10-11-22)18-8-7-17-16(29-18)2-1-13-32(17)19-9-12-28-21(30-19)23(25,26)27/h3-9,12H,1-2,10-11,13H2,(H,31,33)
InChIKeyLJWSQXCSHAHBJB-UHFFFAOYSA-N
XLogP4.53
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide (CID 142580146) is 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide is O=C(NC1(c2ccc3c(n2)CCCN3c2ccnc(C(F)(F)F)n2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide?
The InChIKey is LJWSQXCSHAHBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O/c24-15-5-3-14(4-6-15)20(33)31-22(10-11-22)18-8-7-17-16(29-18)2-1-13-32(17)19-9-12-28-21(30-19)23(25,26)27/h3-9,12H,1-2,10-11,13H2,(H,31,33).
What are the key properties of 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide?
4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide has a molecular weight of 457.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 142580146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).