4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C20H15ClFN5O — CID 7626873

IUPAC4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCc3ccncc3)c(Cl)c12
InChIInChI=1S/C20H15ClFN5O/c1-12-17-18(21)16(20(28)25-10-13-6-8-23-9-7-13)11-24-19(17)27(26-12)15-4-2-14(22)3-5-15/h2-9,11H,10H2,1H3,(H,25,28)
InChIKeyYYKHUGBEMZNSAR-UHFFFAOYSA-N
MW395.83 g/mol
LogP3.85
Rot. Bonds4

About 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7626873) has the molecular formula C20H15ClFN5O and a molecular weight of 395.83 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7626873
Molecular FormulaC20H15ClFN5O
Molecular Weight395.83 g/mol
Exact Mass395.09
IUPAC Name4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCc3ccncc3)c(Cl)c12
InChIInChI=1S/C20H15ClFN5O/c1-12-17-18(21)16(20(28)25-10-13-6-8-23-9-7-13)11-24-19(17)27(26-12)15-4-2-14(22)3-5-15/h2-9,11H,10H2,1H3,(H,25,28)
InChIKeyYYKHUGBEMZNSAR-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626851
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626969
4-chloro-N-(2,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627271
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
2-[[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl-diethylazanium
CID 7627198
4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627274
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18583506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 7626873) is 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCc3ccncc3)c(Cl)c12.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YYKHUGBEMZNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O/c1-12-17-18(21)16(20(28)25-10-13-6-8-23-9-7-13)11-24-19(17)27(26-12)15-4-2-14(22)3-5-15/h2-9,11H,10H2,1H3,(H,25,28).
What are the key properties of 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 395.83 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7626873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).