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

C21H17BrFN5O — CID 45137247

IUPACN-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(Br)n1
InChIInChI=1S/C21H17BrFN5O/c1-2-17(18-4-3-5-20(22)26-18)27-21(29)16-10-24-12-19-15(16)11-25-28(19)14-8-6-13(23)7-9-14/h3-12,17H,2H2,1H3,(H,27,29)/t17-/m0/s1
InChIKeyQWBSPJMQTHVKJV-KRWDZBQOSA-N
MW454.30 g/mol
LogP4.60
Rot. Bonds5

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

N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45137247) has the molecular formula C21H17BrFN5O and a molecular weight of 454.30 g/mol. Its IUPAC name is N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45137247
Molecular FormulaC21H17BrFN5O
Molecular Weight454.30 g/mol
Exact Mass453.06
IUPAC NameN-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(Br)n1
InChIInChI=1S/C21H17BrFN5O/c1-2-17(18-4-3-5-20(22)26-18)27-21(29)16-10-24-12-19-15(16)11-25-28(19)14-8-6-13(23)7-9-14/h3-12,17H,2H2,1H3,(H,27,29)/t17-/m0/s1
InChIKeyQWBSPJMQTHVKJV-KRWDZBQOSA-N
XLogP4.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.30
LogP ≤ 54.60
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-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138759
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(6-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769244
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-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45137247) is N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccc(Br)n1.
What is the InChIKey of N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is QWBSPJMQTHVKJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H17BrFN5O/c1-2-17(18-4-3-5-20(22)26-18)27-21(29)16-10-24-12-19-15(16)11-25-28(19)14-8-6-13(23)7-9-14/h3-12,17H,2H2,1H3,(H,27,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(6-bromo-2-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 454.30 g/mol, XLogP of 4.60, 5 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)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45137247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).