tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

C34H43ClFN7O5 — CID 176923590

IUPACtert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCC(C)N(C(=O)c1cc(F)ccc1Oc1nnc(Cl)c(N2CCC(Oc3ccnc4c3CCN(C(=O)OC(C)(C)C)C4)CC2)n1)C(C)C
InChIInChI=1S/C34H43ClFN7O5/c1-20(2)43(21(3)4)31(44)25-18-22(36)8-9-27(25)47-32-38-30(29(35)39-40-32)41-15-11-23(12-16-41)46-28-10-14-37-26-19-42(17-13-24(26)28)33(45)48-34(5,6)7/h8-10,14,18,20-21,23H,11-13,15-17,19H2,1-7H3
InChIKeyBCIWUAAQTAMLMZ-UHFFFAOYSA-N
MW684.21 g/mol
LogP6.45
Rot. Bonds8

About tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (PubChem CID 176923590) has the molecular formula C34H43ClFN7O5 and a molecular weight of 684.21 g/mol. Its IUPAC name is tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
PubChem CID176923590
Molecular FormulaC34H43ClFN7O5
Molecular Weight684.21 g/mol
Exact Mass683.30
IUPAC Nametert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
SMILESCC(C)N(C(=O)c1cc(F)ccc1Oc1nnc(Cl)c(N2CCC(Oc3ccnc4c3CCN(C(=O)OC(C)(C)C)C4)CC2)n1)C(C)C
InChIInChI=1S/C34H43ClFN7O5/c1-20(2)43(21(3)4)31(44)25-18-22(36)8-9-27(25)47-32-38-30(29(35)39-40-32)41-15-11-23(12-16-41)46-28-10-14-37-26-19-42(17-13-24(26)28)33(45)48-34(5,6)7/h8-10,14,18,20-21,23H,11-13,15-17,19H2,1-7H3
InChIKeyBCIWUAAQTAMLMZ-UHFFFAOYSA-N
XLogP6.45
TPSA123.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.21
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate 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

tert-butyl 4-[1-[6-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 176925450
tert-butyl 4-[1-[5-[2-[cyanomethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176924624
tert-butyl 4-[[2-[6-chloro-3-[2-[2,2-difluoroethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-1,3-dihydroisoindole-2-carboxylate
CID 176924381
tert-butyl 4-[[2-[3-[2-[2,2-difluoroethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 176923172
tert-butyl 2-[3-[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 176924808
tert-butyl 4-[1-[3-chloro-6-[2-[(3,3-difluorocyclobutyl)-propan-2-ylcarbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-5-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176923838
tert-butyl 4-[[2-[3-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyridazin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176924322
tert-butyl 4-[[2-[6-[2-[(3,3-difluorocyclobutyl)-propan-2-ylcarbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 176923284
tert-butyl 4-[[2-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 176923570
tert-butyl (2S)-2-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]morpholine-4-carboxylate
CID 176923339
5-fluoro-2-[[5-[4-[[6-[3-(1,4-oxazepan-4-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N,N-di(propan-2-yl)benzamide
CID 176925007
2-[[5-[4-[[6-(3-chloropropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 176923199

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The IUPAC name of tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (CID 176923590) is tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is CC(C)N(C(=O)c1cc(F)ccc1Oc1nnc(Cl)c(N2CCC(Oc3ccnc4c3CCN(C(=O)OC(C)(C)C)C4)CC2)n1)C(C)C.
What is the InChIKey of tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
The InChIKey is BCIWUAAQTAMLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43ClFN7O5/c1-20(2)43(21(3)4)31(44)25-18-22(36)8-9-27(25)47-32-38-30(29(35)39-40-32)41-15-11-23(12-16-41)46-28-10-14-37-26-19-42(17-13-24(26)28)33(45)48-34(5,6)7/h8-10,14,18,20-21,23H,11-13,15-17,19H2,1-7H3.
What are the key properties of tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?
tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate has a molecular weight of 684.21 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[6-chloro-3-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 176923590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).