[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate

C29H29N5O3 — CID 134443756

IUPAC[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
SMILESCNCCN(C)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C29H29N5O3/c1-30-15-16-33(2)29(35)37-28-25(19-23-14-9-17-36-23)32-27-24(18-21-10-5-3-6-11-21)31-26(20-34(27)28)22-12-7-4-8-13-22/h3-14,17,20,30H,15-16,18-19H2,1-2H3
InChIKeyZFQPSMMXVBHDOL-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.82
Rot. Bonds9

About [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate

[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate (PubChem CID 134443756) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
PubChem CID134443756
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
SMILESCNCCN(C)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C29H29N5O3/c1-30-15-16-33(2)29(35)37-28-25(19-23-14-9-17-36-23)32-27-24(18-21-10-5-3-6-11-21)31-26(20-34(27)28)22-12-7-4-8-13-22/h3-14,17,20,30H,15-16,18-19H2,1-2H3
InChIKeyZFQPSMMXVBHDOL-UHFFFAOYSA-N
XLogP4.82
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate (CID 134443756) is [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate is CNCCN(C)C(=O)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.
What is the InChIKey of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?
The InChIKey is ZFQPSMMXVBHDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-30-15-16-33(2)29(35)37-28-25(19-23-14-9-17-36-23)32-27-24(18-21-10-5-3-6-11-21)31-26(20-34(27)28)22-12-7-4-8-13-22/h3-14,17,20,30H,15-16,18-19H2,1-2H3.
What are the key properties of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate?
[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate has a molecular weight of 495.58 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 134443756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).