N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide

C16H19N5O — CID 166310648

IUPACN-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCCn1cncc1CNC(=O)c1c(C)c2cnccn2c1C
InChIInChI=1S/C16H19N5O/c1-4-20-10-18-7-13(20)8-19-16(22)15-11(2)14-9-17-5-6-21(14)12(15)3/h5-7,9-10H,4,8H2,1-3H3,(H,19,22)
InChIKeySZSGADKUHSEETO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.10
Rot. Bonds4

About N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide

N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 166310648) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID166310648
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCCn1cncc1CNC(=O)c1c(C)c2cnccn2c1C
InChIInChI=1S/C16H19N5O/c1-4-20-10-18-7-13(20)8-19-16(22)15-11(2)14-9-17-5-6-21(14)12(15)3/h5-7,9-10H,4,8H2,1-3H3,(H,19,22)
InChIKeySZSGADKUHSEETO-UHFFFAOYSA-N
XLogP2.10
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 119059192
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
CID 124849946
2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 50955551
6,8-dimethyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-7-yl)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 166310595
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide;formic acid
CID 154911064
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide
CID 66133167
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
3-hydroxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyridine-4-carboxamide
CID 90649146
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide (CID 166310648) is N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide is CCn1cncc1CNC(=O)c1c(C)c2cnccn2c1C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is SZSGADKUHSEETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-4-20-10-18-7-13(20)8-19-16(22)15-11(2)14-9-17-5-6-21(14)12(15)3/h5-7,9-10H,4,8H2,1-3H3,(H,19,22).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide?
N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 166310648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).