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

C21H20FN5OS — CID 30377337

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)c12
InChIInChI=1S/C21H20FN5OS/c1-11(2)16-9-15(18-12(3)26-27(4)19(18)23-16)20(28)25-21-24-17(10-29-21)13-6-5-7-14(22)8-13/h5-11H,1-4H3,(H,24,25,28)
InChIKeyJAJDPOHFLGTACD-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.92
Rot. Bonds4

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

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30377337) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30377337
Molecular FormulaC21H20FN5OS
Molecular Weight409.49 g/mol
Exact Mass409.14
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)c12
InChIInChI=1S/C21H20FN5OS/c1-11(2)16-9-15(18-12(3)26-27(4)19(18)23-16)20(28)25-21-24-17(10-29-21)13-6-5-7-14(22)8-13/h5-11H,1-4H3,(H,24,25,28)
InChIKeyJAJDPOHFLGTACD-UHFFFAOYSA-N
XLogP4.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46517933
N-(2,4-difluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32738959
1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30550990
1,3-dimethyl-6-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51338496
N-(3-chloro-2-fluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30386091
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 32622565
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
N-(4-acetylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32758884
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75451205
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52902564
3-(2,2-dimethylpropanoylamino)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30542317

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 30377337) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)c12.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JAJDPOHFLGTACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c1-11(2)16-9-15(18-12(3)26-27(4)19(18)23-16)20(28)25-21-24-17(10-29-21)13-6-5-7-14(22)8-13/h5-11H,1-4H3,(H,24,25,28).
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30377337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).