tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate

C18H27N5O2 — CID 97160520

IUPACtert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@H]1CCCN1Cc1cnc2cnccn12)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27N5O2/c1-18(2,3)25-17(24)21(4)12-14-6-5-8-22(14)13-15-10-20-16-11-19-7-9-23(15)16/h7,9-11,14H,5-6,8,12-13H2,1-4H3/t14-/m1/s1
InChIKeyIEOUWVRIWDALKV-CQSZACIVSA-N
MW345.45 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate (PubChem CID 97160520) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
PubChem CID97160520
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Nametert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@H]1CCCN1Cc1cnc2cnccn12)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27N5O2/c1-18(2,3)25-17(24)21(4)12-14-6-5-8-22(14)13-15-10-20-16-11-19-7-9-23(15)16/h7,9-11,14H,5-6,8,12-13H2,1-4H3/t14-/m1/s1
InChIKeyIEOUWVRIWDALKV-CQSZACIVSA-N
XLogP2.56
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate (CID 97160520) is tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate is CN(C[C@H]1CCCN1Cc1cnc2cnccn12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The InChIKey is IEOUWVRIWDALKV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-18(2,3)25-17(24)21(4)12-14-6-5-8-22(14)13-15-10-20-16-11-19-7-9-23(15)16/h7,9-11,14H,5-6,8,12-13H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate has a molecular weight of 345.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 97160520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).