(1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C19H21N5O2 — CID 110117628

IUPAC(1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCOc1ccccc1C1Cn2ccnc2CN1C(=O)c1cn(C)nc1C
InChIInChI=1S/C19H21N5O2/c1-13-15(10-22(2)21-13)19(25)24-12-18-20-8-9-23(18)11-16(24)14-6-4-5-7-17(14)26-3/h4-10,16H,11-12H2,1-3H3
InChIKeyZISVMHSHTIBHEV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.33
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 110117628) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID110117628
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCOc1ccccc1C1Cn2ccnc2CN1C(=O)c1cn(C)nc1C
InChIInChI=1S/C19H21N5O2/c1-13-15(10-22(2)21-13)19(25)24-12-18-20-8-9-23(18)11-16(24)14-6-4-5-7-17(14)26-3/h4-10,16H,11-12H2,1-3H3
InChIKeyZISVMHSHTIBHEV-UHFFFAOYSA-N
XLogP2.33
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 110117628) is (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is COc1ccccc1C1Cn2ccnc2CN1C(=O)c1cn(C)nc1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is ZISVMHSHTIBHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-15(10-22(2)21-13)19(25)24-12-18-20-8-9-23(18)11-16(24)14-6-4-5-7-17(14)26-3/h4-10,16H,11-12H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[6-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 110117628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).