tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide

C28H34F5N7O5 — CID 175845970

IUPACtert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
SMILESCC(C)(C)OC(=O)N1CCC(O)C(F)(F)C1.Cc1cn2cc(NC(=O)c3cnc(OC4CCNCC4(F)F)cn3)cc(F)c2n1
InChIInChI=1S/C18H17F3N6O2.C10H17F2NO3/c1-10-7-27-8-11(4-12(19)16(27)25-10)26-17(28)13-5-24-15(6-23-13)29-14-2-3-22-9-18(14,20)21;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-8,14,22H,2-3,9H2,1H3,(H,26,28);7,14H,4-6H2,1-3H3
InChIKeyXHNXMWGYOGUEBN-UHFFFAOYSA-N
MW643.61 g/mol
LogP3.82
Rot. Bonds4

About tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide

tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide (PubChem CID 175845970) has the molecular formula C28H34F5N7O5 and a molecular weight of 643.61 g/mol. Its IUPAC name is tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Nametert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
PubChem CID175845970
Molecular FormulaC28H34F5N7O5
Molecular Weight643.61 g/mol
Exact Mass643.25
IUPAC Nametert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
SMILESCC(C)(C)OC(=O)N1CCC(O)C(F)(F)C1.Cc1cn2cc(NC(=O)c3cnc(OC4CCNCC4(F)F)cn3)cc(F)c2n1
InChIInChI=1S/C18H17F3N6O2.C10H17F2NO3/c1-10-7-27-8-11(4-12(19)16(27)25-10)26-17(28)13-5-24-15(6-23-13)29-14-2-3-22-9-18(14,20)21;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-8,14,22H,2-3,9H2,1H3,(H,26,28);7,14H,4-6H2,1-3H3
InChIKeyXHNXMWGYOGUEBN-UHFFFAOYSA-N
XLogP3.82
TPSA143.21 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.61
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 166507784
tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175846006
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[methyl(piperidin-4-yl)amino]pyrazine-2-carboxamide
CID 163683694
tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]-N-methylcarbamate
CID 166507561
tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate
CID 168758640
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 166848042
[1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate
CID 175506314
tert-butyl 4-[6-fluoro-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593444
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazine-2-carboxamide
CID 166507495
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazine-2-carboxamide
CID 166508029
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
CID 168725199
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593388

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide (CID 175845970) is tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide is CC(C)(C)OC(=O)N1CCC(O)C(F)(F)C1.Cc1cn2cc(NC(=O)c3cnc(OC4CCNCC4(F)F)cn3)cc(F)c2n1.
What is the InChIKey of tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?
The InChIKey is XHNXMWGYOGUEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2.C10H17F2NO3/c1-10-7-27-8-11(4-12(19)16(27)25-10)26-17(28)13-5-24-15(6-23-13)29-14-2-3-22-9-18(14,20)21;1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-8,14,22H,2-3,9H2,1H3,(H,26,28);7,14H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?
tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide has a molecular weight of 643.61 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate;5-(3,3-difluoropiperidin-4-yl)oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 175845970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).