N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C17H23N5O3 — CID 91920374

IUPACN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1cc(C)nn1C
InChIInChI=1S/C17H23N5O3/c1-12-9-15(20(2)19-12)16(23)18-10-13-11-21-6-4-5-14(21)17(24)22(13)7-8-25-3/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,18,23)
InChIKeyDRHTUEXZBGMWGO-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.43
Rot. Bonds6

About N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 91920374) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID91920374
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)c1cc(C)nn1C
InChIInChI=1S/C17H23N5O3/c1-12-9-15(20(2)19-12)16(23)18-10-13-11-21-6-4-5-14(21)17(24)22(13)7-8-25-3/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,18,23)
InChIKeyDRHTUEXZBGMWGO-UHFFFAOYSA-N
XLogP0.43
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465584
US10022354, Example 200
CID 132070229
Ethyl 4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 5307919
1-[2-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72943816
1-[2-[(2S,3S,4S)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72943818
US10343992, Example 151
CID 122590825
2-[5-methyl-4-[4-(oxetan-3-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049822
US10022354, Example 146
CID 132070200
6-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 72010670
4-formamido-N-[1-isopropyl-5-[[1-methyl-5-(3-morpholinopropylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
CID 3009895
2,5-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 117609585
1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide
CID 2738502

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 91920374) is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide is COCCN1C(=O)c2cccn2CC1CNC(=O)c1cc(C)nn1C.
What is the InChIKey of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DRHTUEXZBGMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-9-15(20(2)19-12)16(23)18-10-13-11-21-6-4-5-14(21)17(24)22(13)7-8-25-3/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 91920374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).