N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H23N5OS2 — CID 16605044

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3nc(C)c(C)s3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C21H23N5OS2/c1-10(2)26-19-17(9-22-26)16(20(27)25-21-23-12(4)13(5)29-21)8-18(24-19)15-7-11(3)28-14(15)6/h7-10H,1-6H3,(H,23,25,27)
InChIKeyTUIIQLDDSVVUKD-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.68
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16605044) has the molecular formula C21H23N5OS2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16605044
Molecular FormulaC21H23N5OS2
Molecular Weight425.58 g/mol
Exact Mass425.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3nc(C)c(C)s3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C21H23N5OS2/c1-10(2)26-19-17(9-22-26)16(20(27)25-21-23-12(4)13(5)29-21)8-18(24-19)15-7-11(3)28-14(15)6/h7-10H,1-6H3,(H,23,25,27)
InChIKeyTUIIQLDDSVVUKD-UHFFFAOYSA-N
XLogP5.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25474467
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47835399
6-(2,5-dimethylthiophen-3-yl)-N-[2-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605057
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
6-(2,5-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26002280
ethyl 2-[2-[[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 24603734
6-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134006806
N-[4-(diethylcarbamoyl)phenyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16582713
N-[4-(dimethylsulfamoyl)phenyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590787
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-quinolin-5-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605028
6-(2,5-dimethylthiophen-3-yl)-N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 55507314

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16605044) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3nc(C)c(C)s3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is TUIIQLDDSVVUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS2/c1-10(2)26-19-17(9-22-26)16(20(27)25-21-23-12(4)13(5)29-21)8-18(24-19)15-7-11(3)28-14(15)6/h7-10H,1-6H3,(H,23,25,27).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16605044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).