tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate

C18H22FN3O2 — CID 90383257

IUPACtert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCn2cc(-c3cccc(F)c3)nc2C1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)24-17(23)20-14-7-8-22-11-15(21-16(22)10-14)12-5-4-6-13(19)9-12/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,20,23)
InChIKeyDQAKMGZWQYAFAT-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.53
Rot. Bonds2

About tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate

tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate (PubChem CID 90383257) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate
PubChem CID90383257
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Nametert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCn2cc(-c3cccc(F)c3)nc2C1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)24-17(23)20-14-7-8-22-11-15(21-16(22)10-14)12-5-4-6-13(19)9-12/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,20,23)
InChIKeyDQAKMGZWQYAFAT-UHFFFAOYSA-N
XLogP3.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pumaprazole
CID 3052764
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
12-(Cyclohexylmethyl)-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11047145
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}carbamic acid methyl ester
CID 44444872
methyl 3-[(1S,5R)-8-[(3S)-3-(3-fluorophenyl)-3-(methoxycarbonylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 50992494
N-[(1S)-1-(3-fluorophenyl)-3-[(1R,5S)-3-(2-methyl-5-pyrimidin-4-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide
CID 50992643
methyl N-[(1S)-3-[(1S,5R)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-fluorophenyl)propyl]carbamate
CID 50993593
N-(5-Methyl-imidazo[1,2-a]pyridin-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9802758
N-Imidazo[1,2-a]pyridin-6-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9823195
4-(2-Fluorophenyl)-12-(1-phenylethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9843261
butyl N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 9902686
butyl N-[2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 9944729

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate (CID 90383257) is tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate is CC(C)(C)OC(=O)NC1CCn2cc(-c3cccc(F)c3)nc2C1.
What is the InChIKey of tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate?
The InChIKey is DQAKMGZWQYAFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2,3)24-17(23)20-14-7-8-22-11-15(21-16(22)10-14)12-5-4-6-13(19)9-12/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate?
tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate has a molecular weight of 331.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]carbamate is sourced from PubChem (CID 90383257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).