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

C21H25N5O3S2 — CID 32752981

IUPAC6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)c12
InChIInChI=1S/C21H25N5O3S2/c1-13-19-16(11-17(14-5-6-14)23-20(19)25(2)24-13)21(27)22-12-15-7-8-18(30-15)31(28,29)26-9-3-4-10-26/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,22,27)
InChIKeyGEPQRAKWRZMFFB-UHFFFAOYSA-N
MW459.60 g/mol
LogP2.93
Rot. Bonds6

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

6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32752981) has the molecular formula C21H25N5O3S2 and a molecular weight of 459.60 g/mol. Its IUPAC name is 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32752981
Molecular FormulaC21H25N5O3S2
Molecular Weight459.60 g/mol
Exact Mass459.14
IUPAC Name6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)c12
InChIInChI=1S/C21H25N5O3S2/c1-13-19-16(11-17(14-5-6-14)23-20(19)25(2)24-13)21(27)22-12-15-7-8-18(30-15)31(28,29)26-9-3-4-10-26/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,22,27)
InChIKeyGEPQRAKWRZMFFB-UHFFFAOYSA-N
XLogP2.93
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
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CID 146154521
6-cyclopropyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148427
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CID 55725185
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CID 55724425
4-[[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542948
3-acetamido-2-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112317
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-1,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 19496010
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
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methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 32752981) is 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)c12.
What is the InChIKey of 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GEPQRAKWRZMFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S2/c1-13-19-16(11-17(14-5-6-14)23-20(19)25(2)24-13)21(27)22-12-15-7-8-18(30-15)31(28,29)26-9-3-4-10-26/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,22,27).
What are the key properties of 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 459.60 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3-dimethyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32752981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).