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

C20H16FN5O — CID 134787979

IUPAC6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccncc3)cc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C20H16FN5O/c1-26-19-17(12-24-26)16(20(27)23-11-13-6-8-22-9-7-13)10-18(25-19)14-2-4-15(21)5-3-14/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyZZYXKLSNNCPVIU-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.10
Rot. Bonds4

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

6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134787979) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134787979
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccncc3)cc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C20H16FN5O/c1-26-19-17(12-24-26)16(20(27)23-11-13-6-8-22-9-7-13)10-18(25-19)14-2-4-15(21)5-3-14/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyZZYXKLSNNCPVIU-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

N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800095
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
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
N-[(3,4-difluorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803310
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791
6-(3-methoxyphenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802083
6-(furan-2-yl)-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51291950

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134787979) is 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3ccncc3)cc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZZYXKLSNNCPVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-26-19-17(12-24-26)16(20(27)23-11-13-6-8-22-9-7-13)10-18(25-19)14-2-4-15(21)5-3-14/h2-10,12H,11H2,1H3,(H,23,27).
What are the key properties of 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[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 6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134787979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).