tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate

C19H21FN4O2 — CID 58869560

IUPACtert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nccn2cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H21FN4O2/c1-19(2,3)26-18(25)22-9-8-15-17-23-16(12-24(17)11-10-21-15)13-4-6-14(20)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)
InChIKeyWUQBMUJZRKZUKR-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate

tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate (PubChem CID 58869560) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate
PubChem CID58869560
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Nametert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nccn2cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H21FN4O2/c1-19(2,3)26-18(25)22-9-8-15-17-23-16(12-24(17)11-10-21-15)13-4-6-14(20)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)
InChIKeyWUQBMUJZRKZUKR-UHFFFAOYSA-N
XLogP3.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk-3494245
CID 126571915
Pumaprazole
CID 3052764
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
Tert-Butyl [(1r,3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)cyclopentyl]carbamate
CID 53341503
Imidazopyridine 12b
CID 5329348
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
4-(2-Fluorophenyl)-12-(pyridin-4-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9976743
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}ethylamine
CID 24746214

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate (CID 58869560) is tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nccn2cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate?
The InChIKey is WUQBMUJZRKZUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-19(2,3)26-18(25)22-9-8-15-17-23-16(12-24(17)11-10-21-15)13-4-6-14(20)7-5-13/h4-7,10-12H,8-9H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate has a molecular weight of 356.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]carbamate is sourced from PubChem (CID 58869560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).