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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Related Compounds

N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 2409032
N-[(1R,2S)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603842
Mark-IN-4
CID 68776463
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 229
CID 134539886
US10100058, Example 105
CID 134540034
US10100058, Example 315
CID 134540047
US10100058, Example 225
CID 134540086
US10100058, Example 228
CID 134540119
US10100058, Example 316
CID 134540172
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1402347

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).