(6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C21H28N6O2S — CID 118720620

IUPAC(6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESC[C@@H]1[C@@H](C)n2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ccc12
InChIInChI=1S/C21H28N6O2S/c1-14-15(2)27-20(13-26(14)19-5-9-23-21-17(19)4-8-22-21)18(12-24-27)16-6-10-25(11-7-16)30(3,28)29/h4-5,8-9,12,14-16H,6-7,10-11,13H2,1-3H3,(H,22,23)/t14-,15-/m1/s1
InChIKeyJTBVBNYGDIEVPZ-HUUCEWRRSA-N
MW428.56 g/mol
LogP2.87
Rot. Bonds3

About (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

(6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 118720620) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID118720620
Molecular FormulaC21H28N6O2S
Molecular Weight428.56 g/mol
Exact Mass428.20
IUPAC Name(6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESC[C@@H]1[C@@H](C)n2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ccc12
InChIInChI=1S/C21H28N6O2S/c1-14-15(2)27-20(13-26(14)19-5-9-23-21-17(19)4-8-22-21)18(12-24-27)16-6-10-25(11-7-16)30(3,28)29/h4-5,8-9,12,14-16H,6-7,10-11,13H2,1-3H3,(H,22,23)/t14-,15-/m1/s1
InChIKeyJTBVBNYGDIEVPZ-HUUCEWRRSA-N
XLogP2.87
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 118720620) is (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is C[C@@H]1[C@@H](C)n2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ccc12.
What is the InChIKey of (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is JTBVBNYGDIEVPZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-14-15(2)27-20(13-26(14)19-5-9-23-21-17(19)4-8-22-21)18(12-24-27)16-6-10-25(11-7-16)30(3,28)29/h4-5,8-9,12,14-16H,6-7,10-11,13H2,1-3H3,(H,22,23)/t14-,15-/m1/s1.
What are the key properties of (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
(6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 428.56 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118720620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).