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

C22H22FN5O2S — CID 46517933

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)n2)cc1F
InChIInChI=1S/C22H22FN5O2S/c1-11(2)16-9-14(19-12(3)27-28(4)20(19)24-16)21(29)26-22-25-17(10-31-22)13-6-7-18(30-5)15(23)8-13/h6-11H,1-5H3,(H,25,26,29)
InChIKeyWTQUINITCUVDPG-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.92
Rot. Bonds5

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

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46517933) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46517933
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)n2)cc1F
InChIInChI=1S/C22H22FN5O2S/c1-11(2)16-9-14(19-12(3)27-28(4)20(19)24-16)21(29)26-22-25-17(10-31-22)13-6-7-18(30-5)15(23)8-13/h6-11H,1-5H3,(H,25,26,29)
InChIKeyWTQUINITCUVDPG-UHFFFAOYSA-N
XLogP4.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30377337
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-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxypyridine-3-carboxamide
CID 134002964
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
6-cyclopropyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43043132
N-(2,4-difluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32738959
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621924
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55414517
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609444

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46517933) is N-[4-(3-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-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-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)n2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WTQUINITCUVDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c1-11(2)16-9-14(19-12(3)27-28(4)20(19)24-16)21(29)26-22-25-17(10-31-22)13-6-7-18(30-5)15(23)8-13/h6-11H,1-5H3,(H,25,26,29).
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46517933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).