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

C25H24N8O2 — CID 58873877

IUPACbenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCn1cc(-c2cnc3c(Nc4ccccn4)nc(CCNC(=O)OCc4ccccc4)cn23)cn1
InChIInChI=1S/C25H24N8O2/c1-32-15-19(13-29-32)21-14-28-24-23(31-22-9-5-6-11-26-22)30-20(16-33(21)24)10-12-27-25(34)35-17-18-7-3-2-4-8-18/h2-9,11,13-16H,10,12,17H2,1H3,(H,27,34)(H,26,30,31)
InChIKeyXEDLXVVDIGOINT-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.74
Rot. Bonds8

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

benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (PubChem CID 58873877) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
PubChem CID58873877
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Namebenzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate
SMILESCn1cc(-c2cnc3c(Nc4ccccn4)nc(CCNC(=O)OCc4ccccc4)cn23)cn1
InChIInChI=1S/C25H24N8O2/c1-32-15-19(13-29-32)21-14-28-24-23(31-22-9-5-6-11-26-22)30-20(16-33(21)24)10-12-27-25(34)35-17-18-7-3-2-4-8-18/h2-9,11,13-16H,10,12,17H2,1H3,(H,27,34)(H,26,30,31)
InChIKeyXEDLXVVDIGOINT-UHFFFAOYSA-N
XLogP3.74
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate (CID 58873877) is benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is Cn1cc(-c2cnc3c(Nc4ccccn4)nc(CCNC(=O)OCc4ccccc4)cn23)cn1.
What is the InChIKey of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
The InChIKey is XEDLXVVDIGOINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-32-15-19(13-29-32)21-14-28-24-23(31-22-9-5-6-11-26-22)30-20(16-33(21)24)10-12-27-25(34)35-17-18-7-3-2-4-8-18/h2-9,11,13-16H,10,12,17H2,1H3,(H,27,34)(H,26,30,31).
What are the key properties of benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate?
benzyl N-[2-[3-(1-methylpyrazol-4-yl)-8-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate has a molecular weight of 468.52 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 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-(pyridin-2-ylamino)imidazo[1,2-a]pyrazin-6-yl]ethyl]carbamate is sourced from PubChem (CID 58873877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).