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

C20H23N5O — CID 97471245

IUPACN-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1cnc2n1CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H23N5O/c1-23-9-5-8-18(23)20(26)22-13-17-12-21-19-15-24(10-11-25(17)19)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H,22,26)
InChIKeyAESIEAMEBBZTGF-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.17
Rot. Bonds5

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

N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 97471245) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID97471245
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1cnc2n1CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H23N5O/c1-23-9-5-8-18(23)20(26)22-13-17-12-21-19-15-24(10-11-25(17)19)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H,22,26)
InChIKeyAESIEAMEBBZTGF-UHFFFAOYSA-N
XLogP2.17
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide
CID 97384483
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-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]cyclopropanecarboxamide
CID 97471230
1-methyl-N-[[7-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrrole-2-carboxamide
CID 97467216
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97467583
N-[(7-benzyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-2-cyclopropylacetamide
CID 97467187
(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97384435
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 166269576
(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-morpholin-4-ylmethanone
CID 124788247
N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134806201
N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 97471224

Frequently Asked Questions

What is the IUPAC name of N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide (CID 97471245) is N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1cnc2n1CCN(Cc1ccccc1)C2.
What is the InChIKey of N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is AESIEAMEBBZTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-9-5-8-18(23)20(26)22-13-17-12-21-19-15-24(10-11-25(17)19)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H,22,26).
What are the key properties of N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide?
N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97471245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).