(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C22H27N5O3 — CID 92743137

IUPAC(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCc3ccccc3)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H27N5O3/c1-22(21(30)24-16-10-6-7-11-16)14-27-18(20(29)26(22)2)12-17(25-27)19(28)23-13-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3,(H,23,28)(H,24,30)/t22-/m0/s1
InChIKeyIWFYPTSUAPEIHN-QFIPXVFZSA-N
MW409.49 g/mol
LogP1.72
Rot. Bonds5

About (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92743137) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92743137
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCc3ccccc3)nn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H27N5O3/c1-22(21(30)24-16-10-6-7-11-16)14-27-18(20(29)26(22)2)12-17(25-27)19(28)23-13-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3,(H,23,28)(H,24,30)/t22-/m0/s1
InChIKeyIWFYPTSUAPEIHN-QFIPXVFZSA-N
XLogP1.72
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758536
2-N-[(4-chlorophenyl)methyl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758464
(6R)-6-N-cyclohexyl-5,6-dimethyl-2-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743364
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758503
(6R)-6-N-cyclohexyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743457
6-N-cyclohexyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758462
(6R)-6-N-cycloheptyl-2-N-[[4-(dimethylamino)phenyl]methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92864324
(6S)-2-N-[(2-bromophenyl)methyl]-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743217
(6R)-6-N-cycloheptyl-2-N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92723194
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
(6R)-6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743403

Frequently Asked Questions

What is the IUPAC name of (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92743137) is (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NCc3ccccc3)nn2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is IWFYPTSUAPEIHN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-22(21(30)24-16-10-6-7-11-16)14-27-18(20(29)26(22)2)12-17(25-27)19(28)23-13-15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11,13-14H2,1-2H3,(H,23,28)(H,24,30)/t22-/m0/s1.
What are the key properties of (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92743137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).