tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate

C24H29FN4O3S — CID 168725199

IUPACtert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
SMILESCc1cn2cc(NC(=O)c3sc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc(C)c2n1
InChIInChI=1S/C24H29FN4O3S/c1-14-10-17(13-29-12-15(2)26-21(14)29)27-22(30)20-18(25)11-19(33-20)16-6-8-28(9-7-16)23(31)32-24(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,27,30)
InChIKeyLXJXFRVNATVZSE-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.52
Rot. Bonds3

About tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate (PubChem CID 168725199) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
PubChem CID168725199
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Nametert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
SMILESCc1cn2cc(NC(=O)c3sc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc(C)c2n1
InChIInChI=1S/C24H29FN4O3S/c1-14-10-17(13-29-12-15(2)26-21(14)29)27-22(30)20-18(25)11-19(33-20)16-6-8-28(9-7-16)23(31)32-24(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,27,30)
InChIKeyLXJXFRVNATVZSE-UHFFFAOYSA-N
XLogP5.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 156845224
tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162433134
3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 167500126
tert-butyl 4-[4-fluoro-5-[(4-fluoro-2-methyl-3a,7a-dihydro-1,3-benzoxazol-6-yl)carbamoyl]thiophen-2-yl]piperidine-1-carboxylate
CID 168725206
tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 156845103
tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-fluoroindazol-2-yl]piperidine-1-carboxylate
CID 168902369
3-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845290
tert-butyl 4-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162432935
tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate
CID 153382105
CID 156845164
CID 156845164
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
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 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate (CID 168725199) is tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate is Cc1cn2cc(NC(=O)c3sc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3F)cc(C)c2n1.
What is the InChIKey of tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate?
The InChIKey is LXJXFRVNATVZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-14-10-17(13-29-12-15(2)26-21(14)29)27-22(30)20-18(25)11-19(33-20)16-6-8-28(9-7-16)23(31)32-24(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,27,30).
What are the key properties of tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate has a molecular weight of 472.59 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 168725199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).