N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide

C20H20N4O4 — CID 170590268

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C#CCO)c3cnc(C)cn23)c(OC)c1
InChIInChI=1S/C20H20N4O4/c1-13-12-24-17(11-21-13)16(5-4-8-25)23-19(24)20(26)22-10-14-6-7-15(27-2)9-18(14)28-3/h6-7,9,11-12,25H,8,10H2,1-3H3,(H,22,26)
InChIKeyFKPALKMALUSTKZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.33
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170590268) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID170590268
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(C#CCO)c3cnc(C)cn23)c(OC)c1
InChIInChI=1S/C20H20N4O4/c1-13-12-24-17(11-21-13)16(5-4-8-25)23-19(24)20(26)22-10-14-6-7-15(27-2)9-18(14)28-3/h6-7,9,11-12,25H,8,10H2,1-3H3,(H,22,26)
InChIKeyFKPALKMALUSTKZ-UHFFFAOYSA-N
XLogP1.33
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

8-bromo-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170354594
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
7-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolo[1,2-c]pyrimidine-5-carboxamide
CID 170354818
N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 146080495
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 71896744
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60543673
(2,4-dimethoxyphenyl)methylurea
CID 53362457

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide (CID 170590268) is N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide is COc1ccc(CNC(=O)c2nc(C#CCO)c3cnc(C)cn23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is FKPALKMALUSTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-12-24-17(11-21-13)16(5-4-8-25)23-19(24)20(26)22-10-14-6-7-15(27-2)9-18(14)28-3/h6-7,9,11-12,25H,8,10H2,1-3H3,(H,22,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170590268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).