tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate

C23H30F4N4O2 — CID 174182417

IUPACtert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(F)cnc3nc(C4(CCC(F)(F)F)CCC4)[nH]c23)CC1
InChIInChI=1S/C23H30F4N4O2/c1-21(2,3)33-20(32)31-11-5-14(6-12-31)16-15(24)13-28-18-17(16)29-19(30-18)22(7-4-8-22)9-10-23(25,26)27/h13-14H,4-12H2,1-3H3,(H,28,29,30)
InChIKeyFJTYOACZJHPFLV-UHFFFAOYSA-N
MW470.51 g/mol
LogP5.98
Rot. Bonds4

About tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate

tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate (PubChem CID 174182417) has the molecular formula C23H30F4N4O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate
PubChem CID174182417
Molecular FormulaC23H30F4N4O2
Molecular Weight470.51 g/mol
Exact Mass470.23
IUPAC Nametert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(F)cnc3nc(C4(CCC(F)(F)F)CCC4)[nH]c23)CC1
InChIInChI=1S/C23H30F4N4O2/c1-21(2,3)33-20(32)31-11-5-14(6-12-31)16-15(24)13-28-18-17(16)29-19(30-18)22(7-4-8-22)9-10-23(25,26)27/h13-14H,4-12H2,1-3H3,(H,28,29,30)
InChIKeyFJTYOACZJHPFLV-UHFFFAOYSA-N
XLogP5.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 67955124
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl 4-[5-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]piperidine-1-carboxylate
CID 174216398
tert-butyl 4-[1-(1-ethoxycarbonylcyclobutyl)pyrazol-4-yl]piperidine-1-carboxylate
CID 167459825
tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 58149951
tert-butyl 4-(2,3-difluoro-6-methylphenyl)piperidine-1-carboxylate
CID 58149940
tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
CID 118391853
tert-butyl 4-(2-amino-7-fluoro-3H-benzimidazol-5-yl)piperidine-1-carboxylate
CID 172553980
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 59505000
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate (CID 174182417) is tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2c(F)cnc3nc(C4(CCC(F)(F)F)CCC4)[nH]c23)CC1.
What is the InChIKey of tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate?
The InChIKey is FJTYOACZJHPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4N4O2/c1-21(2,3)33-20(32)31-11-5-14(6-12-31)16-15(24)13-28-18-17(16)29-19(30-18)22(7-4-8-22)9-10-23(25,26)27/h13-14H,4-12H2,1-3H3,(H,28,29,30).
What are the key properties of tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate has a molecular weight of 470.51 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-fluoro-2-[1-(3,3,3-trifluoropropyl)cyclobutyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 174182417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).