N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide

C18H21N5O2 — CID 97467583

IUPACN-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccoc1)CC2
InChIInChI=1S/C18H21N5O2/c1-21-5-2-3-16(21)18(24)19-9-15-11-23-7-6-22(12-17(23)20-15)10-14-4-8-25-13-14/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,19,24)
InChIKeyLLMFSTZQIZXWNX-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.76
Rot. Bonds5

About N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 97467583) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID97467583
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccoc1)CC2
InChIInChI=1S/C18H21N5O2/c1-21-5-2-3-16(21)18(24)19-9-15-11-23-7-6-22(12-17(23)20-15)10-14-4-8-25-13-14/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,19,24)
InChIKeyLLMFSTZQIZXWNX-UHFFFAOYSA-N
XLogP1.76
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 97467586
1-methyl-N-[[7-(pyridazine-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
CID 97382147
1-methyl-N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
CID 97382142
N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 97471245
1-methyl-N-[[7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
CID 97382167
1-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide
CID 97384483
N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97384488
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide
CID 97384486
N-[[(2R,3aR,6aR)-5-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97415698
N-[[7-(furan-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 171672627
2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313829
7-[(5-methylthiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155859394

Frequently Asked Questions

What is the IUPAC name of N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 97467583) is N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccoc1)CC2.
What is the InChIKey of N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LLMFSTZQIZXWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-5-2-3-16(21)18(24)19-9-15-11-23-7-6-22(12-17(23)20-15)10-14-4-8-25-13-14/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,19,24).
What are the key properties of N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97467583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).