tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate

C18H17F2N3O2 — CID 90383277

IUPACtert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccn2cc(-c3cc(F)ccc3F)nc2c1
InChIInChI=1S/C18H17F2N3O2/c1-18(2,3)25-17(24)21-12-6-7-23-10-15(22-16(23)9-12)13-8-11(19)4-5-14(13)20/h4-10H,1-3H3,(H,21,24)
InChIKeyCVLNCNHNTOYLRR-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.63
Rot. Bonds2

About tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate

tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate (PubChem CID 90383277) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate
PubChem CID90383277
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Nametert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccn2cc(-c3cc(F)ccc3F)nc2c1
InChIInChI=1S/C18H17F2N3O2/c1-18(2,3)25-17(24)21-12-6-7-23-10-15(22-16(23)9-12)13-8-11(19)4-5-14(13)20/h4-10H,1-3H3,(H,21,24)
InChIKeyCVLNCNHNTOYLRR-UHFFFAOYSA-N
XLogP4.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[4-[8-Amino-3-(1-methylcyclopropyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 121596789
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-[2-(2,4-Difluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 23727894
(2,4-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744104
(2,5-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate (CID 90383277) is tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate is CC(C)(C)OC(=O)Nc1ccn2cc(-c3cc(F)ccc3F)nc2c1.
What is the InChIKey of tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate?
The InChIKey is CVLNCNHNTOYLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-18(2,3)25-17(24)21-12-6-7-23-10-15(22-16(23)9-12)13-8-11(19)4-5-14(13)20/h4-10H,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate?
tert-butyl N-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate has a molecular weight of 345.35 g/mol, XLogP of 4.63, 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-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]carbamate is sourced from PubChem (CID 90383277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).