2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

C20H25N5O2 — CID 118792176

IUPAC2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCN(Cc1ccc3ccn(C)c3c1)C2
InChIInChI=1S/C20H25N5O2/c1-23-6-5-16-4-3-15(9-19(16)23)12-24-7-8-25-18(13-24)10-17(22-25)11-21-20(26)14-27-2/h3-6,9-10H,7-8,11-14H2,1-2H3,(H,21,26)
InChIKeyDVVJXUZHXIBATL-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.65
Rot. Bonds6

About 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide

2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 118792176) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID118792176
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCN(Cc1ccc3ccn(C)c3c1)C2
InChIInChI=1S/C20H25N5O2/c1-23-6-5-16-4-3-15(9-19(16)23)12-24-7-8-25-18(13-24)10-17(22-25)11-21-20(26)14-27-2/h3-6,9-10H,7-8,11-14H2,1-2H3,(H,21,26)
InChIKeyDVVJXUZHXIBATL-UHFFFAOYSA-N
XLogP1.65
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 118792176) is 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is COCC(=O)NCc1cc2n(n1)CCN(Cc1ccc3ccn(C)c3c1)C2.
What is the InChIKey of 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is DVVJXUZHXIBATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23-6-5-16-4-3-15(9-19(16)23)12-24-7-8-25-18(13-24)10-17(22-25)11-21-20(26)14-27-2/h3-6,9-10H,7-8,11-14H2,1-2H3,(H,21,26).
What are the key properties of 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-[(1-methylindol-6-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 118792176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).