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

C33H42FN7O5 — CID 176925450

IUPACtert-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
SMILESCCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)CC1)C(C)C
InChIInChI=1S/C33H42FN7O5/c1-7-41(21(2)3)31(42)25-18-22(34)8-9-27(25)45-30-29(36-20-37-38-30)39-15-11-23(12-16-39)44-28-10-14-35-26-19-40(17-13-24(26)28)32(43)46-33(4,5)6/h8-10,14,18,20-21,23H,7,11-13,15-17,19H2,1-6H3
InChIKeyCZHHSYBIELCGCH-UHFFFAOYSA-N
MW635.74 g/mol
LogP5.41
Rot. Bonds8

About 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

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 (PubChem CID 176925450) has the molecular formula C33H42FN7O5 and a molecular weight of 635.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID176925450
Molecular FormulaC33H42FN7O5
Molecular Weight635.74 g/mol
Exact Mass635.32
IUPAC Nametert-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
SMILESCCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)CC1)C(C)C
InChIInChI=1S/C33H42FN7O5/c1-7-41(21(2)3)31(42)25-18-22(34)8-9-27(25)45-30-29(36-20-37-38-30)39-15-11-23(12-16-39)44-28-10-14-35-26-19-40(17-13-24(26)28)32(43)46-33(4,5)6/h8-10,14,18,20-21,23H,7,11-13,15-17,19H2,1-6H3
InChIKeyCZHHSYBIELCGCH-UHFFFAOYSA-N
XLogP5.41
TPSA123.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.74
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
N-ethyl-5-fluoro-2-[[5-[4-[[6-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 176924742
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 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-[[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]pyrazole-1-carboxylate
CID 176923567
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
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 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-[6-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylate
CID 176897746
N-(3,3-difluorocyclobutyl)-5-fluoro-N-propan-2-yl-2-[[5-[4-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]benzamide
CID 176925417

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CCN(C(=O)OC(C)(C)C)C3)CC1)C(C)C.
What is the InChIKey of 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?
The InChIKey is CZHHSYBIELCGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42FN7O5/c1-7-41(21(2)3)31(42)25-18-22(34)8-9-27(25)45-30-29(36-20-37-38-30)39-15-11-23(12-16-39)44-28-10-14-35-26-19-40(17-13-24(26)28)32(43)46-33(4,5)6/h8-10,14,18,20-21,23H,7,11-13,15-17,19H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 635.74 g/mol, XLogP of 5.41, 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-[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 is sourced from PubChem (CID 176925450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).