tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

C38H51FN6O5 — CID 77445224

IUPACtert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCC(C(=O)NC(C(=O)N1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2ccccc2n1)C1CCCCC1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C38H51FN6O5/c1-26(42(5)37(49)50-38(2,3)4)34(46)41-33(28-12-7-6-8-13-28)36(48)45-22-11-14-30(45)24-44(23-20-27-16-18-29(39)19-17-27)35(47)31-25-43-21-10-9-15-32(43)40-31/h9-10,15-19,21,25-26,28,30,33H,6-8,11-14,20,22-24H2,1-5H3,(H,41,46)
InChIKeyOLWRURMZWLCHMR-UHFFFAOYSA-N
MW690.86 g/mol
LogP5.47
Rot. Bonds11

About tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 77445224) has the molecular formula C38H51FN6O5 and a molecular weight of 690.86 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID77445224
Molecular FormulaC38H51FN6O5
Molecular Weight690.86 g/mol
Exact Mass690.39
IUPAC Nametert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCC(C(=O)NC(C(=O)N1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2ccccc2n1)C1CCCCC1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C38H51FN6O5/c1-26(42(5)37(49)50-38(2,3)4)34(46)41-33(28-12-7-6-8-13-28)36(48)45-22-11-14-30(45)24-44(23-20-27-16-18-29(39)19-17-27)35(47)31-25-43-21-10-9-15-32(43)40-31/h9-10,15-19,21,25-26,28,30,33H,6-8,11-14,20,22-24H2,1-5H3,(H,41,46)
InChIKeyOLWRURMZWLCHMR-UHFFFAOYSA-N
XLogP5.47
TPSA116.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.86
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

N-[[4-[[(2S)-4-cyclohexyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155568238
N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 44431994
N-(2-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68781557
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(pyridine-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283325
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{imidazo[1,2-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895714
N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 4880003
N-[3-(cyclopropylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 9360968
3-[2-(Dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 10785916

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 77445224) is tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is CC(C(=O)NC(C(=O)N1CCCC1CN(CCc1ccc(F)cc1)C(=O)c1cn2ccccc2n1)C1CCCCC1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is OLWRURMZWLCHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51FN6O5/c1-26(42(5)37(49)50-38(2,3)4)34(46)41-33(28-12-7-6-8-13-28)36(48)45-22-11-14-30(45)24-44(23-20-27-16-18-29(39)19-17-27)35(47)31-25-43-21-10-9-15-32(43)40-31/h9-10,15-19,21,25-26,28,30,33H,6-8,11-14,20,22-24H2,1-5H3,(H,41,46).
What are the key properties of tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 690.86 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[2-(4-fluorophenyl)ethyl-(imidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 77445224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).