4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

C19H16BrFN4O — CID 129104746

IUPAC4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(Br)ccn1
InChIInChI=1S/C19H16BrFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
InChIKeyCPQPLJPWRQGPBK-OAHLLOKOSA-N
MW415.27 g/mol
LogP3.98
Rot. Bonds3

About 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (PubChem CID 129104746) has the molecular formula C19H16BrFN4O and a molecular weight of 415.27 g/mol. Its IUPAC name is 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
PubChem CID129104746
Molecular FormulaC19H16BrFN4O
Molecular Weight415.27 g/mol
Exact Mass414.05
IUPAC Name4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(Br)ccn1
InChIInChI=1S/C19H16BrFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
InChIKeyCPQPLJPWRQGPBK-OAHLLOKOSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (CID 129104746) is 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The InChIKey is CPQPLJPWRQGPBK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16BrFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1.
What are the key properties of 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide has a molecular weight of 415.27 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 129104746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).