tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate

C23H30FN7O2 — CID 70649422

IUPACtert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2N)CC1
InChIInChI=1S/C23H30FN7O2/c1-23(2,3)33-22(32)28-10-14-4-7-16(8-5-14)29-20-17(25)11-27-21(30-20)18-12-26-19-9-6-15(24)13-31(18)19/h6,9,11-14,16H,4-5,7-8,10,25H2,1-3H3,(H,28,32)(H,27,29,30)
InChIKeyNXBXCSUCFKUFIR-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.01
Rot. Bonds5

About tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate

tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate (PubChem CID 70649422) has the molecular formula C23H30FN7O2 and a molecular weight of 455.54 g/mol. Its IUPAC name is tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate
PubChem CID70649422
Molecular FormulaC23H30FN7O2
Molecular Weight455.54 g/mol
Exact Mass455.24
IUPAC Nametert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2N)CC1
InChIInChI=1S/C23H30FN7O2/c1-23(2,3)33-22(32)28-10-14-4-7-16(8-5-14)29-20-17(25)11-27-21(30-20)18-12-26-19-9-6-15(24)13-31(18)19/h6,9,11-14,16H,4-5,7-8,10,25H2,1-3H3,(H,28,32)(H,27,29,30)
InChIKeyNXBXCSUCFKUFIR-UHFFFAOYSA-N
XLogP4.01
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

Gsk-3494245
CID 126571915
Pumaprazole
CID 3052764
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
2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
Piperazine carbamate/urea derivative 4
CID 89487751
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
CID 24744105
(2,6-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate (CID 70649422) is tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(Nc2nc(-c3cnc4ccc(F)cn34)ncc2N)CC1.
What is the InChIKey of tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate?
The InChIKey is NXBXCSUCFKUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN7O2/c1-23(2,3)33-22(32)28-10-14-4-7-16(8-5-14)29-20-17(25)11-27-21(30-20)18-12-26-19-9-6-15(24)13-31(18)19/h6,9,11-14,16H,4-5,7-8,10,25H2,1-3H3,(H,28,32)(H,27,29,30).
What are the key properties of tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate has a molecular weight of 455.54 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[5-amino-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 70649422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).