tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate

C18H23F2N5O3 — CID 166822363

IUPACtert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2ccc(CNC(=O)CC3CC3(F)F)nc2n1
InChIInChI=1S/C18H23F2N5O3/c1-17(2,3)28-16(27)22-9-13-10-25-5-4-12(23-15(25)24-13)8-21-14(26)6-11-7-18(11,19)20/h4-5,10-11H,6-9H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyVSEMXUBVZOTDJV-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate

tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate (PubChem CID 166822363) has the molecular formula C18H23F2N5O3 and a molecular weight of 395.41 g/mol. Its IUPAC name is tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate
PubChem CID166822363
Molecular FormulaC18H23F2N5O3
Molecular Weight395.41 g/mol
Exact Mass395.18
IUPAC Nametert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2ccc(CNC(=O)CC3CC3(F)F)nc2n1
InChIInChI=1S/C18H23F2N5O3/c1-17(2,3)28-16(27)22-9-13-10-25-5-4-12(23-15(25)24-13)8-21-14(26)6-11-7-18(11,19)20/h4-5,10-11H,6-9H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyVSEMXUBVZOTDJV-UHFFFAOYSA-N
XLogP2.42
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]methyl]carbamate
CID 122483314
N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-2-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 166822971
tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
CID 155167651
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 155167684
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
acetonitrile;tert-butyl N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane
CID 157030821
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[[6-[(1-benzhydrylazetidin-3-yl)methyl]-2-pyridinyl]methyl]carbamate
CID 86618646

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate (CID 166822363) is tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cn2ccc(CNC(=O)CC3CC3(F)F)nc2n1.
What is the InChIKey of tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate?
The InChIKey is VSEMXUBVZOTDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O3/c1-17(2,3)28-16(27)22-9-13-10-25-5-4-12(23-15(25)24-13)8-21-14(26)6-11-7-18(11,19)20/h4-5,10-11H,6-9H2,1-3H3,(H,21,26)(H,22,27).
What are the key properties of tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate?
tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate has a molecular weight of 395.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]carbamate is sourced from PubChem (CID 166822363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).