6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C20H23N5OS — CID 134789955

IUPAC6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1nc(C2CCNC2)c2c(C(=O)NCc3cccs3)cc(C3CC3)nc21
InChIInChI=1S/C20H23N5OS/c1-25-19-17(18(24-25)13-6-7-21-10-13)15(9-16(23-19)12-4-5-12)20(26)22-11-14-3-2-8-27-14/h2-3,8-9,12-13,21H,4-7,10-11H2,1H3,(H,22,26)
InChIKeyJGZIAAMKJGFJRP-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.91
Rot. Bonds5

About 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134789955) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134789955
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1nc(C2CCNC2)c2c(C(=O)NCc3cccs3)cc(C3CC3)nc21
InChIInChI=1S/C20H23N5OS/c1-25-19-17(18(24-25)13-6-7-21-10-13)15(9-16(23-19)12-4-5-12)20(26)22-11-14-3-2-8-27-14/h2-3,8-9,12-13,21H,4-7,10-11H2,1H3,(H,22,26)
InChIKeyJGZIAAMKJGFJRP-UHFFFAOYSA-N
XLogP2.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134789955) is 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1nc(C2CCNC2)c2c(C(=O)NCc3cccs3)cc(C3CC3)nc21.
What is the InChIKey of 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JGZIAAMKJGFJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-25-19-17(18(24-25)13-6-7-21-10-13)15(9-16(23-19)12-4-5-12)20(26)22-11-14-3-2-8-27-14/h2-3,8-9,12-13,21H,4-7,10-11H2,1H3,(H,22,26).
What are the key properties of 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134789955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).