N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C20H15BrFN5O — CID 59278134

IUPACN-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(Br)n1
InChIInChI=1S/C20H15BrFN5O/c1-12(17-3-2-4-19(21)26-17)25-20(28)16-9-23-11-18-15(16)10-24-27(18)14-7-5-13(22)6-8-14/h2-12H,1H3,(H,25,28)/t12-/m0/s1
InChIKeyFWQAXNAVKRUSEG-LBPRGKRZSA-N
MW440.28 g/mol
LogP4.21
Rot. Bonds4

About N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278134) has the molecular formula C20H15BrFN5O and a molecular weight of 440.28 g/mol. Its IUPAC name is N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278134
Molecular FormulaC20H15BrFN5O
Molecular Weight440.28 g/mol
Exact Mass439.04
IUPAC NameN-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(Br)n1
InChIInChI=1S/C20H15BrFN5O/c1-12(17-3-2-4-19(21)26-17)25-20(28)16-9-23-11-18-15(16)10-24-27(18)14-7-5-13(22)6-8-14/h2-12H,1H3,(H,25,28)/t12-/m0/s1
InChIKeyFWQAXNAVKRUSEG-LBPRGKRZSA-N
XLogP4.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 54.21
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-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278185
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 66727496
N-[1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278494
1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfanyl-1H-pyrrol-2-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 141264520
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278360
N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278424
carbamoyl-[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-6-methylsulfonyl-2-pyridinyl]-dimethylazanium
CID 66727612
N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 159075828
N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 52917285
2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66727140
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
1-(4-fluorophenyl)-N-[1-[2-methylsulfanyl-6-(propan-2-ylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965653

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278134) is N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(Br)n1.
What is the InChIKey of N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is FWQAXNAVKRUSEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H15BrFN5O/c1-12(17-3-2-4-19(21)26-17)25-20(28)16-9-23-11-18-15(16)10-24-27(18)14-7-5-13(22)6-8-14/h2-12H,1H3,(H,25,28)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 440.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).