N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H16FN5O — CID 134800095

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccc(F)cc3)cc(-c3cccnc3)nc21
InChIInChI=1S/C20H16FN5O/c1-26-19-17(12-24-26)16(9-18(25-19)14-3-2-8-22-11-14)20(27)23-10-13-4-6-15(21)7-5-13/h2-9,11-12H,10H2,1H3,(H,23,27)
InChIKeyLYACWOZSKWREQM-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.10
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134800095) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134800095
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccc(F)cc3)cc(-c3cccnc3)nc21
InChIInChI=1S/C20H16FN5O/c1-26-19-17(12-24-26)16(9-18(25-19)14-3-2-8-22-11-14)20(27)23-10-13-4-6-15(21)7-5-13/h2-9,11-12H,10H2,1H3,(H,23,27)
InChIKeyLYACWOZSKWREQM-UHFFFAOYSA-N
XLogP3.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134787979
6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788958
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
6-(3-methoxyphenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802083
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
6-(3-fluorophenyl)-N-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802464
N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
6-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800911
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134800095) is N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3ccc(F)cc3)cc(-c3cccnc3)nc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LYACWOZSKWREQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-26-19-17(12-24-26)16(9-18(25-19)14-3-2-8-22-11-14)20(27)23-10-13-4-6-15(21)7-5-13/h2-9,11-12H,10H2,1H3,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134800095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).