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

C35H45FN8O3 — CID 176924742

IUPACN-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
SMILESCCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CN(C2CC4(C2)CN(C)C4)CC3)CC1)C(C)C
InChIInChI=1S/C35H45FN8O3/c1-5-44(23(2)3)34(45)27-16-24(36)6-7-30(27)47-33-32(38-22-39-40-33)42-13-9-26(10-14-42)46-31-8-12-37-29-11-15-43(19-28(29)31)25-17-35(18-25)20-41(4)21-35/h6-8,12,16,22-23,25-26H,5,9-11,13-15,17-21H2,1-4H3
InChIKeyGNIVCBMEGOEJGR-UHFFFAOYSA-N
MW644.80 g/mol
LogP4.57
Rot. Bonds9

About 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

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 (PubChem CID 176924742) has the molecular formula C35H45FN8O3 and a molecular weight of 644.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID176924742
Molecular FormulaC35H45FN8O3
Molecular Weight644.80 g/mol
Exact Mass644.36
IUPAC NameN-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
SMILESCCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CN(C2CC4(C2)CN(C)C4)CC3)CC1)C(C)C
InChIInChI=1S/C35H45FN8O3/c1-5-44(23(2)3)34(45)27-16-24(36)6-7-30(27)47-33-32(38-22-39-40-33)42-13-9-26(10-14-42)46-31-8-12-37-29-11-15-43(19-28(29)31)25-17-35(18-25)20-41(4)21-35/h6-8,12,16,22-23,25-26H,5,9-11,13-15,17-21H2,1-4H3
InChIKeyGNIVCBMEGOEJGR-UHFFFAOYSA-N
XLogP4.57
TPSA100.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.80
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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
N-ethyl-5-fluoro-2-[[5-[6-[[6-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 176925319
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
2-[[5-[6-[[6-[2-(1,4-dioxan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 176924980
N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide
CID 176923655
N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 176923931
2-[[5-[6-(1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-f][1,6]naphthyridin-11-yloxy)-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 176924175
N-(3,3-difluorocyclobutyl)-5-fluoro-2-[[5-[4-[[6-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propyl]-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 176925137
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
N-ethyl-5-fluoro-2-[[5-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 176924916
ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
CID 176923874
2-[[5-[6-[[6-(azetidin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-5-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 176923192

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CN(C2CC4(C2)CN(C)C4)CC3)CC1)C(C)C.
What is the InChIKey of 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?
The InChIKey is GNIVCBMEGOEJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45FN8O3/c1-5-44(23(2)3)34(45)27-16-24(36)6-7-30(27)47-33-32(38-22-39-40-33)42-13-9-26(10-14-42)46-31-8-12-37-29-11-15-43(19-28(29)31)25-17-35(18-25)20-41(4)21-35/h6-8,12,16,22-23,25-26H,5,9-11,13-15,17-21H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 644.80 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176924742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).