N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C17H20N4O2S — CID 111428920

IUPACN-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCC(C)O)c12
InChIInChI=1S/C17H20N4O2S/c1-10(22)6-7-18-17(23)12-9-13(14-5-4-8-24-14)19-16-15(12)11(2)20-21(16)3/h4-5,8-10,22H,6-7H2,1-3H3,(H,18,23)
InChIKeySUYLIOMINVMXMR-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.51
Rot. Bonds5

About N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 111428920) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID111428920
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCC(C)O)c12
InChIInChI=1S/C17H20N4O2S/c1-10(22)6-7-18-17(23)12-9-13(14-5-4-8-24-14)19-16-15(12)11(2)20-21(16)3/h4-5,8-10,22H,6-7H2,1-3H3,(H,18,23)
InChIKeySUYLIOMINVMXMR-UHFFFAOYSA-N
XLogP2.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
1,3-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540837
1,3-dimethyl-N-(2-pyridin-2-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39898025
1,3-dimethyl-N-[(3-methylphenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55558498
1,3-dimethyl-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86903200
ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 55673579
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119348272
1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822812
1,3-dimethyl-N-(2-quinolin-8-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36647436
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702259
1,3-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822456

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 111428920) is N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCC(C)O)c12.
What is the InChIKey of N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SUYLIOMINVMXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10(22)6-7-18-17(23)12-9-13(14-5-4-8-24-14)19-16-15(12)11(2)20-21(16)3/h4-5,8-10,22H,6-7H2,1-3H3,(H,18,23).
What are the key properties of N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 111428920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).