(6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C22H33N5O4 — CID 92743546

IUPAC(6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NC[C@H]3CCCO3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C22H33N5O4/c1-22(21(30)24-15-8-5-3-4-6-9-15)14-27-18(20(29)26(22)2)12-17(25-27)19(28)23-13-16-10-7-11-31-16/h12,15-16H,3-11,13-14H2,1-2H3,(H,23,28)(H,24,30)/t16-,22+/m1/s1
InChIKeyGYGICOFXNMTZNI-ZHRRBRCNSA-N
MW431.54 g/mol
LogP1.48
Rot. Bonds5

About (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92743546) has the molecular formula C22H33N5O4 and a molecular weight of 431.54 g/mol. Its IUPAC name is (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92743546
Molecular FormulaC22H33N5O4
Molecular Weight431.54 g/mol
Exact Mass431.25
IUPAC Name(6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NC[C@H]3CCCO3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C22H33N5O4/c1-22(21(30)24-15-8-5-3-4-6-9-15)14-27-18(20(29)26(22)2)12-17(25-27)19(28)23-13-16-10-7-11-31-16/h12,15-16H,3-11,13-14H2,1-2H3,(H,23,28)(H,24,30)/t16-,22+/m1/s1
InChIKeyGYGICOFXNMTZNI-ZHRRBRCNSA-N
XLogP1.48
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758536
(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743501
(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
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-piperidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278753
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
(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
(6R)-6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743229
(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
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92723184
(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

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92743546) is (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NC[C@H]3CCCO3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1.
What is the InChIKey of (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is GYGICOFXNMTZNI-ZHRRBRCNSA-N. The full InChI is InChI=1S/C22H33N5O4/c1-22(21(30)24-15-8-5-3-4-6-9-15)14-27-18(20(29)26(22)2)12-17(25-27)19(28)23-13-16-10-7-11-31-16/h12,15-16H,3-11,13-14H2,1-2H3,(H,23,28)(H,24,30)/t16-,22+/m1/s1.
What are the key properties of (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 431.54 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92743546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).