tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate

C25H28FN3O3 — CID 153244424

IUPACtert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate
SMILESCC1CC1(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C1CC1CN2C(=O)OC(C)(C)C
InChIInChI=1S/C25H28FN3O3/c1-14-12-25(14,28-22(30)15-5-7-17(26)8-6-15)20-10-9-19-21(27-20)18-11-16(18)13-29(19)23(31)32-24(2,3)4/h5-10,14,16,18H,11-13H2,1-4H3,(H,28,30)
InChIKeyWSCDLMQLAQUXGV-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.74
Rot. Bonds3

About tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate

tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate (PubChem CID 153244424) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate
PubChem CID153244424
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Nametert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate
SMILESCC1CC1(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C1CC1CN2C(=O)OC(C)(C)C
InChIInChI=1S/C25H28FN3O3/c1-14-12-25(14,28-22(30)15-5-7-17(26)8-6-15)20-10-9-19-21(27-20)18-11-16(18)13-29(19)23(31)32-24(2,3)4/h5-10,14,16,18H,11-13H2,1-4H3,(H,28,30)
InChIKeyWSCDLMQLAQUXGV-UHFFFAOYSA-N
XLogP4.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate?
The IUPAC name of tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate (CID 153244424) is tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate?
The canonical SMILES for tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate is CC1CC1(NC(=O)c1ccc(F)cc1)c1ccc2c(n1)C1CC1CN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate?
The InChIKey is WSCDLMQLAQUXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-14-12-25(14,28-22(30)15-5-7-17(26)8-6-15)20-10-9-19-21(27-20)18-11-16(18)13-29(19)23(31)32-24(2,3)4/h5-10,14,16,18H,11-13H2,1-4H3,(H,28,30).
What are the key properties of tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate?
tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate has a molecular weight of 437.52 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-[(4-fluorobenzoyl)amino]-2-methylcyclopropyl]-1,1a,2,7b-tetrahydrocyclopropa[c][1,5]naphthyridine-3-carboxylate is sourced from PubChem (CID 153244424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).