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

C24H24FN5O — CID 142580265

IUPAC4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
SMILESCc1nccc(N2CCCc3nc([C@]4(NC(=O)c5ccc(F)cc5)C[C@@H]4C)ccc32)n1
InChIInChI=1S/C24H24FN5O/c1-15-14-24(15,29-23(31)17-5-7-18(25)8-6-17)21-10-9-20-19(28-21)4-3-13-30(20)22-11-12-26-16(2)27-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,29,31)/t15-,24-/m0/s1
InChIKeyFOBMFHHWWZOPLN-OWJWWREXSA-N
MW417.49 g/mol
LogP4.07
Rot. Bonds4

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

4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide (PubChem CID 142580265) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
PubChem CID142580265
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
SMILESCc1nccc(N2CCCc3nc([C@]4(NC(=O)c5ccc(F)cc5)C[C@@H]4C)ccc32)n1
InChIInChI=1S/C24H24FN5O/c1-15-14-24(15,29-23(31)17-5-7-18(25)8-6-17)21-10-9-20-19(28-21)4-3-13-30(20)22-11-12-26-16(2)27-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,29,31)/t15-,24-/m0/s1
InChIKeyFOBMFHHWWZOPLN-OWJWWREXSA-N
XLogP4.07
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide (CID 142580265) is 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide is Cc1nccc(N2CCCc3nc([C@]4(NC(=O)c5ccc(F)cc5)C[C@@H]4C)ccc32)n1.
What is the InChIKey of 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide?
The InChIKey is FOBMFHHWWZOPLN-OWJWWREXSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-15-14-24(15,29-23(31)17-5-7-18(25)8-6-17)21-10-9-20-19(28-21)4-3-13-30(20)22-11-12-26-16(2)27-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,29,31)/t15-,24-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide?
4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 142580265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).