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

C30H34F3N7O3 — CID 176925417

IUPACN-(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
SMILESCC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CNCC3)CC1)C1CC(F)(F)C1
InChIInChI=1S/C30H34F3N7O3/c1-18(2)40(20-14-30(32,33)15-20)29(41)22-13-19(31)3-4-25(22)43-28-27(36-17-37-38-28)39-11-7-21(8-12-39)42-26-6-10-35-24-5-9-34-16-23(24)26/h3-4,6,10,13,17-18,20-21,34H,5,7-9,11-12,14-16H2,1-2H3
InChIKeyGOJMCARSXSGHAN-UHFFFAOYSA-N
MW597.64 g/mol
LogP4.54
Rot. Bonds8

About 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

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 (PubChem CID 176925417) has the molecular formula C30H34F3N7O3 and a molecular weight of 597.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID176925417
Molecular FormulaC30H34F3N7O3
Molecular Weight597.64 g/mol
Exact Mass597.27
IUPAC NameN-(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
SMILESCC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CNCC3)CC1)C1CC(F)(F)C1
InChIInChI=1S/C30H34F3N7O3/c1-18(2)40(20-14-30(32,33)15-20)29(41)22-13-19(31)3-4-25(22)43-28-27(36-17-37-38-28)39-11-7-21(8-12-39)42-26-6-10-35-24-5-9-34-16-23(24)26/h3-4,6,10,13,17-18,20-21,34H,5,7-9,11-12,14-16H2,1-2H3
InChIKeyGOJMCARSXSGHAN-UHFFFAOYSA-N
XLogP4.54
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.64
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-N-(3-hydroxycyclobutyl)-N-propan-2-yl-2-[4-[4-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)piperidin-1-yl]pyrimidin-5-yl]oxybenzamide
CID 176923539
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
5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
CID 176923472
N-(3,3-difluorocyclobutyl)-5-fluoro-2-[4-[4-[[5-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176923304
5-fluoro-N-propan-2-yl-2-[4-[4-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)piperidin-1-yl]pyrimidin-5-yl]oxy-N-(2,2,2-trifluoroethyl)benzamide
CID 176924199
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
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
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
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
ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-yl]oxybenzamide
CID 176924252
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CNCC3)CC1)C1CC(F)(F)C1.
What is the InChIKey of 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?
The InChIKey is GOJMCARSXSGHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N7O3/c1-18(2)40(20-14-30(32,33)15-20)29(41)22-13-19(31)3-4-25(22)43-28-27(36-17-37-38-28)39-11-7-21(8-12-39)42-26-6-10-35-24-5-9-34-16-23(24)26/h3-4,6,10,13,17-18,20-21,34H,5,7-9,11-12,14-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 597.64 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176925417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).