tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C32H40F2N6O4 — CID 58230706

IUPACtert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N(CCc1ccccn1)c1cccc(NCC(F)(F)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)n1
InChIInChI=1S/C32H40F2N6O4/c1-30(2,3)43-28(41)39(20-17-23-12-7-8-18-35-23)26-14-9-13-25(38-26)36-21-32(33,34)24-16-15-22-11-10-19-40(27(22)37-24)29(42)44-31(4,5)6/h7-9,12-16,18H,10-11,17,19-21H2,1-6H3,(H,36,38)
InChIKeyIKLZNOYZLGGFTD-UHFFFAOYSA-N
MW610.71 g/mol
LogP6.75
Rot. Bonds8

About tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 58230706) has the molecular formula C32H40F2N6O4 and a molecular weight of 610.71 g/mol. Its IUPAC name is tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID58230706
Molecular FormulaC32H40F2N6O4
Molecular Weight610.71 g/mol
Exact Mass610.31
IUPAC Nametert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N(CCc1ccccn1)c1cccc(NCC(F)(F)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)n1
InChIInChI=1S/C32H40F2N6O4/c1-30(2,3)43-28(41)39(20-17-23-12-7-8-18-35-23)26-14-9-13-25(38-26)36-21-32(33,34)24-16-15-22-11-10-19-40(27(22)37-24)29(42)44-31(4,5)6/h7-9,12-16,18H,10-11,17,19-21H2,1-6H3,(H,36,38)
InChIKeyIKLZNOYZLGGFTD-UHFFFAOYSA-N
XLogP6.75
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-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 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 58230706) is tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CC(C)(C)OC(=O)N(CCc1ccccn1)c1cccc(NCC(F)(F)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)n1.
What is the InChIKey of tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is IKLZNOYZLGGFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2N6O4/c1-30(2,3)43-28(41)39(20-17-23-12-7-8-18-35-23)26-14-9-13-25(38-26)36-21-32(33,34)24-16-15-22-11-10-19-40(27(22)37-24)29(42)44-31(4,5)6/h7-9,12-16,18H,10-11,17,19-21H2,1-6H3,(H,36,38).
What are the key properties of tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 610.71 g/mol, XLogP of 6.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[1,1-difluoro-2-[[6-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyridin-2-ylethyl)amino]-2-pyridinyl]amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 58230706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).