6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C26H33N5O5 — CID 50758473

IUPAC6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H33N5O5/c1-16(17-9-10-21-22(13-17)36-12-11-35-21)27-23(32)19-14-20-24(33)30(3)26(2,15-31(20)29-19)25(34)28-18-7-5-4-6-8-18/h9-10,13-14,16,18H,4-8,11-12,15H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyGZVKBTCVFZASIK-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.44
Rot. Bonds5

About 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 50758473) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID50758473
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Name6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H33N5O5/c1-16(17-9-10-21-22(13-17)36-12-11-35-21)27-23(32)19-14-20-24(33)30(3)26(2,15-31(20)29-19)25(34)28-18-7-5-4-6-8-18/h9-10,13-14,16,18H,4-8,11-12,15H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyGZVKBTCVFZASIK-UHFFFAOYSA-N
XLogP2.44
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 50758473) is 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(NC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCC1)N(C)C2=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is GZVKBTCVFZASIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-16(17-9-10-21-22(13-17)36-12-11-35-21)27-23(32)19-14-20-24(33)30(3)26(2,15-31(20)29-19)25(34)28-18-7-5-4-6-8-18/h9-10,13-14,16,18H,4-8,11-12,15H2,1-3H3,(H,27,32)(H,28,34).
What are the key properties of 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 50758473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).