6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H15ClFN5O — CID 134788958

IUPAC6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccc(F)cc3)cc(-c3ccc(Cl)nc3)nc21
InChIInChI=1S/C20H15ClFN5O/c1-27-19-16(11-25-27)15(8-17(26-19)13-4-7-18(21)23-10-13)20(28)24-9-12-2-5-14(22)6-3-12/h2-8,10-11H,9H2,1H3,(H,24,28)
InChIKeyYKIZGAJRHUTMCF-UHFFFAOYSA-N
MW395.83 g/mol
LogP3.75
Rot. Bonds4

About 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134788958) has the molecular formula C20H15ClFN5O and a molecular weight of 395.83 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134788958
Molecular FormulaC20H15ClFN5O
Molecular Weight395.83 g/mol
Exact Mass395.09
IUPAC Name6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccc(F)cc3)cc(-c3ccc(Cl)nc3)nc21
InChIInChI=1S/C20H15ClFN5O/c1-27-19-16(11-25-27)15(8-17(26-19)13-4-7-18(21)23-10-13)20(28)24-9-12-2-5-14(22)6-3-12/h2-8,10-11H,9H2,1H3,(H,24,28)
InChIKeyYKIZGAJRHUTMCF-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134787979
N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800095
6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134795259
6-(2,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797607
6-(3-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803326
N-[(3,4-difluorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803310
6-tert-butyl-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788948
N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134793381
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
N-[2-(4-chlorophenyl)ethyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134799362
6-(3-methoxyphenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802083

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134788958) is 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3ccc(F)cc3)cc(-c3ccc(Cl)nc3)nc21.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YKIZGAJRHUTMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O/c1-27-19-16(11-25-27)15(8-17(26-19)13-4-7-18(21)23-10-13)20(28)24-9-12-2-5-14(22)6-3-12/h2-8,10-11H,9H2,1H3,(H,24,28).
What are the key properties of 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 395.83 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134788958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).