tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

C37H51N7O5 — CID 77445206

IUPACtert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCC(C(=O)NC(C(=O)N1CCCC1CN(CCc1ccccc1)C(=O)c1cn2cccnc2n1)C1CCCCC1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C37H51N7O5/c1-26(41(5)36(48)49-37(2,3)4)32(45)40-31(28-16-10-7-11-17-28)34(47)44-22-12-18-29(44)24-42(23-19-27-14-8-6-9-15-27)33(46)30-25-43-21-13-20-38-35(43)39-30/h6,8-9,13-15,20-21,25-26,28-29,31H,7,10-12,16-19,22-24H2,1-5H3,(H,40,45)
InChIKeyAWGYPPULCZKGSR-UHFFFAOYSA-N
MW673.86 g/mol
LogP4.73
Rot. Bonds11

About tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 77445206) has the molecular formula C37H51N7O5 and a molecular weight of 673.86 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)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-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID77445206
Molecular FormulaC37H51N7O5
Molecular Weight673.86 g/mol
Exact Mass673.40
IUPAC Nametert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCC(C(=O)NC(C(=O)N1CCCC1CN(CCc1ccccc1)C(=O)c1cn2cccnc2n1)C1CCCCC1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C37H51N7O5/c1-26(41(5)36(48)49-37(2,3)4)32(45)40-31(28-16-10-7-11-17-28)34(47)44-22-12-18-29(44)24-42(23-19-27-14-8-6-9-15-27)33(46)30-25-43-21-13-20-38-35(43)39-30/h6,8-9,13-15,20-21,25-26,28-29,31H,7,10-12,16-19,22-24H2,1-5H3,(H,40,45)
InChIKeyAWGYPPULCZKGSR-UHFFFAOYSA-N
XLogP4.73
TPSA129.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500673.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

8-((3-(1H-Imidazol-1-YL)PR)amino)3-ME-7-(1-PH-ET)3,7-dihydro-1H-purine-2,6-dione
CID 645860
N-benzyl-7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 71456438
(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexanamide
CID 53379739
(R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidin-1-yl)(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 44591850
2-{1-[(2-(3H-Imidazol-4-yl)-1-{3-methyl-1-[(2-methyl-1-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-propylamino)-methyl]-butylcarbamoyl}-ethyl)-methyl-carbamoyl]-2-phenyl-ethylcarbamoyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 90662798
{1-[(2-(3H-Imidazol-4-yl)-1-{3-methyl-1-[(2-methyl-1-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-propylamino)-methyl]-butylcarbamoyl}-ethyl)-methyl-carbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
CID 90662807
2-[1-(2-(1H-Imidazol-4-yl)-1-{3-methyl-1-[(2-methyl-1-{2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-propylamino)-methyl]-butylcarbamoyl}-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 90663442
N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 155541619
N-cyclohexyl-2-[(4-methylbenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155566036
N-benzyl-2,6-dimethyl-imidazo[1,2-a]pyrimidine-3-carboxamide
CID 118706490
tert-butyl N-[(E)-5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-enyl]carbamate
CID 57404621
tert-butyl N-[(Z)-5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-enyl]carbamate
CID 67990719

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)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-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 77445206) is tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)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-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)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-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is CC(C(=O)NC(C(=O)N1CCCC1CN(CCc1ccccc1)C(=O)c1cn2cccnc2n1)C1CCCCC1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is AWGYPPULCZKGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N7O5/c1-26(41(5)36(48)49-37(2,3)4)32(45)40-31(28-16-10-7-11-17-28)34(47)44-22-12-18-29(44)24-42(23-19-27-14-8-6-9-15-27)33(46)30-25-43-21-13-20-38-35(43)39-30/h6,8-9,13-15,20-21,25-26,28-29,31H,7,10-12,16-19,22-24H2,1-5H3,(H,40,45).
What are the key properties of tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 673.86 g/mol, XLogP of 4.73, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-cyclohexyl-2-[2-[[imidazo[1,2-a]pyrimidine-2-carbonyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 77445206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).