2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C20H27N5O2 — CID 95720501

IUPAC2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCNC(=O)N1CCn2nc(CN(C)C[C@H]3Cc4ccccc4O3)cc2C1
InChIInChI=1S/C20H27N5O2/c1-3-21-20(26)24-8-9-25-17(13-24)11-16(22-25)12-23(2)14-18-10-15-6-4-5-7-19(15)27-18/h4-7,11,18H,3,8-10,12-14H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyNTQFXTMRXFAHHG-GOSISDBHSA-N
MW369.47 g/mol
LogP1.86
Rot. Bonds5

About 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 95720501) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID95720501
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCCNC(=O)N1CCn2nc(CN(C)C[C@H]3Cc4ccccc4O3)cc2C1
InChIInChI=1S/C20H27N5O2/c1-3-21-20(26)24-8-9-25-17(13-24)11-16(22-25)12-23(2)14-18-10-15-6-4-5-7-19(15)27-18/h4-7,11,18H,3,8-10,12-14H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyNTQFXTMRXFAHHG-GOSISDBHSA-N
XLogP1.86
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide with MolForge

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Related Compounds

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CID 50959976
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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 95720501) is 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CCNC(=O)N1CCn2nc(CN(C)C[C@H]3Cc4ccccc4O3)cc2C1.
What is the InChIKey of 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is NTQFXTMRXFAHHG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-21-20(26)24-8-9-25-17(13-24)11-16(22-25)12-23(2)14-18-10-15-6-4-5-7-19(15)27-18/h4-7,11,18H,3,8-10,12-14H2,1-2H3,(H,21,26)/t18-/m1/s1.
What are the key properties of 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 95720501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).