N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C19H13BrFN5O — CID 45138009

IUPACN-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Br)nc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H13BrFN5O/c20-18-6-1-12(7-23-18)8-24-19(27)16-9-22-11-17-15(16)10-25-26(17)14-4-2-13(21)3-5-14/h1-7,9-11H,8H2,(H,24,27)
InChIKeyILMRBTWLMIOLTI-UHFFFAOYSA-N
MW426.25 g/mol
LogP3.65
Rot. Bonds4

About N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45138009) has the molecular formula C19H13BrFN5O and a molecular weight of 426.25 g/mol. Its IUPAC name is N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45138009
Molecular FormulaC19H13BrFN5O
Molecular Weight426.25 g/mol
Exact Mass425.03
IUPAC NameN-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Br)nc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H13BrFN5O/c20-18-6-1-12(7-23-18)8-24-19(27)16-9-22-11-17-15(16)10-25-26(17)14-4-2-13(21)3-5-14/h1-7,9-11H,8H2,(H,24,27)
InChIKeyILMRBTWLMIOLTI-UHFFFAOYSA-N
XLogP3.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 53.65
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

N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
(3-Bromopyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57391358
(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
1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278235
4-(Benzylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291866
N-[2-(4-fluorophenyl)benzotriazol-5-yl]pyridine-3-carboxamide
CID 739161
6-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]pyridine-3-carboxamide
CID 155559701
1-[2-[(1R,3S,5R)-3-[(3-bromo-2-fluorophenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 71009424
1-[2-[(1R,3S,5R)-3-[(3-bromo-2-fluorophenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 71009662
6-phenyl-4-[[(3R)-piperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937354
1-[2-[(1R,3S,5R)-3-[(3-bromo-2-fluorophenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 118233200

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45138009) is N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is O=C(NCc1ccc(Br)nc1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is ILMRBTWLMIOLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN5O/c20-18-6-1-12(7-23-18)8-24-19(27)16-9-22-11-17-15(16)10-25-26(17)14-4-2-13(21)3-5-14/h1-7,9-11H,8H2,(H,24,27).
What are the key properties of N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 426.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45138009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).