(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone

C20H26N6O — CID 45253062

IUPAC(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
SMILESCCC1c2cccn2CCN1C(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1
InChIInChI=1S/C20H26N6O/c1-4-17-18-6-5-8-24(18)10-11-26(17)20(27)16-12-15(22-23-16)13-25-9-7-21-19(25)14(2)3/h5-9,12,14,17H,4,10-11,13H2,1-3H3,(H,22,23)
InChIKeyTUJOQZHDVACWSM-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.19
Rot. Bonds5

About (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone

(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone (PubChem CID 45253062) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
PubChem CID45253062
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
SMILESCCC1c2cccn2CCN1C(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1
InChIInChI=1S/C20H26N6O/c1-4-17-18-6-5-8-24(18)10-11-26(17)20(27)16-12-15(22-23-16)13-25-9-7-21-19(25)14(2)3/h5-9,12,14,17H,4,10-11,13H2,1-3H3,(H,22,23)
InChIKeyTUJOQZHDVACWSM-UHFFFAOYSA-N
XLogP3.19
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 51495389
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 50983759
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
CID 136890699
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CID 56757813
(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 51093120
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CID 45222444
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CID 78901705
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CID 70727929
5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
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[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
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[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96578460

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone?
The IUPAC name of (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone (CID 45253062) is (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone is CCC1c2cccn2CCN1C(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1.
What is the InChIKey of (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone?
The InChIKey is TUJOQZHDVACWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-4-17-18-6-5-8-24(18)10-11-26(17)20(27)16-12-15(22-23-16)13-25-9-7-21-19(25)14(2)3/h5-9,12,14,17H,4,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone?
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 45253062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).