benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

C27H29N7O2S — CID 58879987

IUPACbenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCC(C)c1cc(Cc2nc(CCNC(=O)OCc3ccccc3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C27H29N7O2S/c1-18(2)23-11-22(37-32-23)12-24-26-29-14-25(20-13-30-33(3)15-20)34(26)16-21(31-24)9-10-28-27(35)36-17-19-7-5-4-6-8-19/h4-8,11,13-16,18H,9-10,12,17H2,1-3H3,(H,28,35)
InChIKeyPDSGFWTVJRFDTG-UHFFFAOYSA-N
MW515.64 g/mol
LogP4.77
Rot. Bonds9

About benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate

benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (PubChem CID 58879987) has the molecular formula C27H29N7O2S and a molecular weight of 515.64 g/mol. Its IUPAC name is benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
PubChem CID58879987
Molecular FormulaC27H29N7O2S
Molecular Weight515.64 g/mol
Exact Mass515.21
IUPAC Namebenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCC(C)c1cc(Cc2nc(CCNC(=O)OCc3ccccc3)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C27H29N7O2S/c1-18(2)23-11-22(37-32-23)12-24-26-29-14-25(20-13-30-33(3)15-20)34(26)16-21(31-24)9-10-28-27(35)36-17-19-7-5-4-6-8-19/h4-8,11,13-16,18H,9-10,12,17H2,1-3H3,(H,28,35)
InChIKeyPDSGFWTVJRFDTG-UHFFFAOYSA-N
XLogP4.77
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (CID 58879987) is benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is CC(C)c1cc(Cc2nc(CCNC(=O)OCc3ccccc3)cn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The InChIKey is PDSGFWTVJRFDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2S/c1-18(2)23-11-22(37-32-23)12-24-26-29-14-25(20-13-30-33(3)15-20)34(26)16-21(31-24)9-10-28-27(35)36-17-19-7-5-4-6-8-19/h4-8,11,13-16,18H,9-10,12,17H2,1-3H3,(H,28,35).
What are the key properties of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate has a molecular weight of 515.64 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-[(3-propan-2-yl-1,2-thiazol-5-yl)methyl]imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is sourced from PubChem (CID 58879987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).