N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide

C48H44F2N10O2 — CID 163913786

IUPACN-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide
SMILESCc1nccc(N2C[C@@H]3C[C@@H]3c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1.Cc1nccc(N2C[C@H]3C[C@H]3c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1
InChIInChI=1S/2C24H22FN5O/c2*1-14-26-11-8-21(27-14)30-13-16-12-18(16)22-19(30)6-7-20(28-22)24(9-10-24)29-23(31)15-2-4-17(25)5-3-15/h2*2-8,11,16,18H,9-10,12-13H2,1H3,(H,29,31)/t2*16-,18-/m10/s1
InChIKeyQULWUGIJZBUVEQ-LFNLIUGZSA-N
MW830.94 g/mol
LogP7.99
Rot. Bonds8

About N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide

N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide (PubChem CID 163913786) has the molecular formula C48H44F2N10O2 and a molecular weight of 830.94 g/mol. Its IUPAC name is N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide
PubChem CID163913786
Molecular FormulaC48H44F2N10O2
Molecular Weight830.94 g/mol
Exact Mass830.36
IUPAC NameN-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide
SMILESCc1nccc(N2C[C@@H]3C[C@@H]3c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1.Cc1nccc(N2C[C@H]3C[C@H]3c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1
InChIInChI=1S/2C24H22FN5O/c2*1-14-26-11-8-21(27-14)30-13-16-12-18(16)22-19(30)6-7-20(28-22)24(9-10-24)29-23(31)15-2-4-17(25)5-3-15/h2*2-8,11,16,18H,9-10,12-13H2,1H3,(H,29,31)/t2*16-,18-/m10/s1
InChIKeyQULWUGIJZBUVEQ-LFNLIUGZSA-N
XLogP7.99
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.94
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580242
ethane;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580241
cyclopropyl (1aS,7bS)-6-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate
CID 166728869
oxan-4-yl (1aS)-6-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate
CID 166907972
(1aS,7bR)-6-[1-(4-fluoroanilino)cyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylic acid
CID 166728877
4-fluoro-N-[1-[8-(2-methylpyrimidin-4-yl)-1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-5-yl]cyclopropyl]benzamide
CID 162506976
N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide
CID 142580291
4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide
CID 146386166
N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide
CID 164612087
4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
CID 146386067
1-[3,3-difluoro-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone
CID 159186779
(4-methylphenyl)-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 172882737

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide (CID 163913786) is N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide is Cc1nccc(N2C[C@@H]3C[C@@H]3c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1.Cc1nccc(N2C[C@H]3C[C@H]3c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1.
What is the InChIKey of N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide?
The InChIKey is QULWUGIJZBUVEQ-LFNLIUGZSA-N. The full InChI is InChI=1S/2C24H22FN5O/c2*1-14-26-11-8-21(27-14)30-13-16-12-18(16)22-19(30)6-7-20(28-22)24(9-10-24)29-23(31)15-2-4-17(25)5-3-15/h2*2-8,11,16,18H,9-10,12-13H2,1H3,(H,29,31)/t2*16-,18-/m10/s1.
What are the key properties of N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide?
N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide has a molecular weight of 830.94 g/mol, XLogP of 7.99, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide;N-[1-[(1aS,7bR)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide is sourced from PubChem (CID 163913786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).