2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol

C19H21N5OS — CID 162433116

IUPAC2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol
SMILESCc1c(O)c(-c2cc3cn(C4CCNCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C19H21N5OS/c1-11-17-12(9-23(2)21-17)7-15(18(11)25)16-8-13-10-24(22-19(13)26-16)14-3-5-20-6-4-14/h7-10,14,20,25H,3-6H2,1-2H3
InChIKeyDRNDFUSVQITFOG-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.59
Rot. Bonds2

About 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol

2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol (PubChem CID 162433116) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol.

Molecular Properties

Compound Name2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol
PubChem CID162433116
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol
SMILESCc1c(O)c(-c2cc3cn(C4CCNCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C19H21N5OS/c1-11-17-12(9-23(2)21-17)7-15(18(11)25)16-8-13-10-24(22-19(13)26-16)14-3-5-20-6-4-14/h7-10,14,20,25H,3-6H2,1-2H3
InChIKeyDRNDFUSVQITFOG-UHFFFAOYSA-N
XLogP3.59
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol?
The IUPAC name of 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol (CID 162433116) is 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol.
What is the SMILES notation for 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol?
The canonical SMILES for 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol is Cc1c(O)c(-c2cc3cn(C4CCNCC4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol?
The InChIKey is DRNDFUSVQITFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-11-17-12(9-23(2)21-17)7-15(18(11)25)16-8-13-10-24(22-19(13)26-16)14-3-5-20-6-4-14/h7-10,14,20,25H,3-6H2,1-2H3.
What are the key properties of 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol?
2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol has a molecular weight of 367.48 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(2-piperidin-4-ylthieno[2,3-c]pyrazol-5-yl)indazol-6-ol is sourced from PubChem (CID 162433116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).