N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C22H19BrFN5O — CID 45138756

IUPACN-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1
InChIInChI=1S/C22H19BrFN5O/c1-2-3-19(14-8-9-26-21(23)10-14)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-6-4-15(24)5-7-16/h4-13,19H,2-3H2,1H3,(H,28,30)
InChIKeyAVZPXIIOAXPQTE-UHFFFAOYSA-N
MW468.33 g/mol
LogP4.99
Rot. Bonds6

About N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45138756) has the molecular formula C22H19BrFN5O and a molecular weight of 468.33 g/mol. Its IUPAC name is N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45138756
Molecular FormulaC22H19BrFN5O
Molecular Weight468.33 g/mol
Exact Mass467.08
IUPAC NameN-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1
InChIInChI=1S/C22H19BrFN5O/c1-2-3-19(14-8-9-26-21(23)10-14)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-6-4-15(24)5-7-16/h4-13,19H,2-3H2,1H3,(H,28,30)
InChIKeyAVZPXIIOAXPQTE-UHFFFAOYSA-N
XLogP4.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.33
LogP ≤ 54.99
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

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138759
1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid [(S)-1-(2-methanesulfonyl-pyridin-4-yl)-propyl]-amide
CID 59278286
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278332
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
5-bromo-N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 49843511
6-bromo-N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 56673320
(3-Bromopyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57391358
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 42606688
1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138007
5-bromo-8-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 45376308

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45138756) is N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1.
What is the InChIKey of N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is AVZPXIIOAXPQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN5O/c1-2-3-19(14-8-9-26-21(23)10-14)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-6-4-15(24)5-7-16/h4-13,19H,2-3H2,1H3,(H,28,30).
What are the key properties of N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 468.33 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45138756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).