(6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C26H33N5O5 — CID 92744462

IUPAC(6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H33N5O5/c1-3-4-11-30-24(33)20-13-19(23(32)27-14-17-9-10-21-22(12-17)36-16-35-21)29-31(20)15-26(30,2)25(34)28-18-7-5-6-8-18/h9-10,12-13,18H,3-8,11,14-16H2,1-2H3,(H,27,32)(H,28,34)/t26-/m0/s1
InChIKeySRECAMBYILQFKE-SANMLTNESA-N
MW495.58 g/mol
LogP2.62
Rot. Bonds8

About (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744462) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92744462
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Name(6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCCN1C(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H33N5O5/c1-3-4-11-30-24(33)20-13-19(23(32)27-14-17-9-10-21-22(12-17)36-16-35-21)29-31(20)15-26(30,2)25(34)28-18-7-5-6-8-18/h9-10,12-13,18H,3-8,11,14-16H2,1-2H3,(H,27,32)(H,28,34)/t26-/m0/s1
InChIKeySRECAMBYILQFKE-SANMLTNESA-N
XLogP2.62
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758741
2-N-(1,3-benzodioxol-5-yl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758976
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-2-N-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744475
2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 71219692
(6R)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-[2-(4-methylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744485
(6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744525
(6R)-2-N-[(4-butoxyphenyl)methyl]-6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744304
(6R)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
(6R)-6-N-cyclopentyl-5-ethyl-2-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744289
(6S)-5-butyl-6-N-cyclopentyl-6-methyl-2-N-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744516
(6S)-5-butyl-6-N-cyclopentyl-2-N-(2-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744450

Frequently Asked Questions

What is the IUPAC name of (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744462) is (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCCN1C(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)nn2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is SRECAMBYILQFKE-SANMLTNESA-N. The full InChI is InChI=1S/C26H33N5O5/c1-3-4-11-30-24(33)20-13-19(23(32)27-14-17-9-10-21-22(12-17)36-16-35-21)29-31(20)15-26(30,2)25(34)28-18-7-5-6-8-18/h9-10,12-13,18H,3-8,11,14-16H2,1-2H3,(H,27,32)(H,28,34)/t26-/m0/s1.
What are the key properties of (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-N-(1,3-benzodioxol-5-ylmethyl)-5-butyl-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).