benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

C25H28N6O4S — CID 58873944

IUPACbenzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCn1cc(-c2cnc3c(S(C)(=O)=O)nc(CCN(CC4CC4)C(=O)OCc4ccccc4)cn23)cn1
InChIInChI=1S/C25H28N6O4S/c1-29-15-20(12-27-29)22-13-26-23-24(36(2,33)34)28-21(16-31(22)23)10-11-30(14-18-8-9-18)25(32)35-17-19-6-4-3-5-7-19/h3-7,12-13,15-16,18H,8-11,14,17H2,1-2H3
InChIKeySMYPRNMQFOXASX-UHFFFAOYSA-N
MW508.60 g/mol
LogP3.12
Rot. Bonds9

About benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (PubChem CID 58873944) has the molecular formula C25H28N6O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
PubChem CID58873944
Molecular FormulaC25H28N6O4S
Molecular Weight508.60 g/mol
Exact Mass508.19
IUPAC Namebenzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCn1cc(-c2cnc3c(S(C)(=O)=O)nc(CCN(CC4CC4)C(=O)OCc4ccccc4)cn23)cn1
InChIInChI=1S/C25H28N6O4S/c1-29-15-20(12-27-29)22-13-26-23-24(36(2,33)34)28-21(16-31(22)23)10-11-30(14-18-8-9-18)25(32)35-17-19-6-4-3-5-7-19/h3-7,12-13,15-16,18H,8-11,14,17H2,1-2H3
InChIKeySMYPRNMQFOXASX-UHFFFAOYSA-N
XLogP3.12
TPSA111.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

benzyl N-[2-[8-(4-imidazol-1-ylanilino)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethyl]-N-methylcarbamate;N-(4-imidazol-1-ylphenyl)-6-[2-(methylamino)ethyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 160752128
3-(1-methylpyrazol-4-yl)-8-methylsulfonyl-6-pyridin-3-ylimidazo[1,2-a]pyrazine
CID 58873871
benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
CID 155388566
4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 138986512
benzyl 1-methyl-2-(1-methylpyrazol-4-yl)imidazole-4-carboxylate
CID 70981716
N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86963371
benzyl 3-(1-methylpyrazol-4-yl)cyclohex-2-ene-1-carboxylate
CID 156779866
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566899
2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;cyclopentylmethoxymethylbenzene
CID 145269176
4-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 139267795
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
CID 170995038

Frequently Asked Questions

What is the IUPAC name of benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The IUPAC name of benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (CID 58873944) is benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is Cn1cc(-c2cnc3c(S(C)(=O)=O)nc(CCN(CC4CC4)C(=O)OCc4ccccc4)cn23)cn1.
What is the InChIKey of benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The InChIKey is SMYPRNMQFOXASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4S/c1-29-15-20(12-27-29)22-13-26-23-24(36(2,33)34)28-21(16-31(22)23)10-11-30(14-18-8-9-18)25(32)35-17-19-6-4-3-5-7-19/h3-7,12-13,15-16,18H,8-11,14,17H2,1-2H3.
What are the key properties of benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate has a molecular weight of 508.60 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(cyclopropylmethyl)-N-[2-[3-(1-methylpyrazol-4-yl)-8-methylsulfonylimidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is sourced from PubChem (CID 58873944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).