4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C18H13ClFN5OS — CID 7626851

IUPAC4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1csc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)n1
InChIInChI=1S/C18H13ClFN5OS/c1-9-8-27-18(22-9)23-17(26)13-7-21-16-14(15(13)19)10(2)24-25(16)12-5-3-11(20)4-6-12/h3-8H,1-2H3,(H,22,23,26)
InChIKeyATBJOIBMNIKERA-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.54
Rot. Bonds3

About 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7626851) has the molecular formula C18H13ClFN5OS and a molecular weight of 401.85 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7626851
Molecular FormulaC18H13ClFN5OS
Molecular Weight401.85 g/mol
Exact Mass401.05
IUPAC Name4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1csc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)n1
InChIInChI=1S/C18H13ClFN5OS/c1-9-8-27-18(22-9)23-17(26)13-7-21-16-14(15(13)19)10(2)24-25(16)12-5-3-11(20)4-6-12/h3-8H,1-2H3,(H,22,23,26)
InChIKeyATBJOIBMNIKERA-UHFFFAOYSA-N
XLogP4.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627271
4-chloro-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788
4-chloro-1-(4-fluorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626855
4-chloro-N-[(4-fluorophenyl)methyl]-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627313
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626873
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031
4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627274
4-chloro-3-methyl-N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627315
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423439
[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 7626819
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626977

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 7626851) is 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1csc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)n1.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ATBJOIBMNIKERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5OS/c1-9-8-27-18(22-9)23-17(26)13-7-21-16-14(15(13)19)10(2)24-25(16)12-5-3-11(20)4-6-12/h3-8H,1-2H3,(H,22,23,26).
What are the key properties of 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7626851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).