4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

C19H20F2N4O — CID 129127266

IUPAC4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESC/C=C(F)\C(=C/C)n1ncc2c1CCC[C@H]2NC(=O)c1cc(F)ccn1
InChIInChI=1S/C19H20F2N4O/c1-3-14(21)17(4-2)25-18-7-5-6-15(13(18)11-23-25)24-19(26)16-10-12(20)8-9-22-16/h3-4,8-11,15H,5-7H2,1-2H3,(H,24,26)/b14-3+,17-4+/t15-/m1/s1
InChIKeyLGRAUAXHSYCOTJ-GCJBXRQNSA-N
MW358.39 g/mol
LogP3.96
Rot. Bonds4

About 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (PubChem CID 129127266) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
PubChem CID129127266
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESC/C=C(F)\C(=C/C)n1ncc2c1CCC[C@H]2NC(=O)c1cc(F)ccn1
InChIInChI=1S/C19H20F2N4O/c1-3-14(21)17(4-2)25-18-7-5-6-15(13(18)11-23-25)24-19(26)16-10-12(20)8-9-22-16/h3-4,8-11,15H,5-7H2,1-2H3,(H,24,26)/b14-3+,17-4+/t15-/m1/s1
InChIKeyLGRAUAXHSYCOTJ-GCJBXRQNSA-N
XLogP3.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45202984
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 115497317
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384756
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56731507
5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384778
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 24817447
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyridine-2-carboxamide
CID 129104732
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-3-carboxamide
CID 42383497
5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 43063208

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (CID 129127266) is 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is C/C=C(F)\C(=C/C)n1ncc2c1CCC[C@H]2NC(=O)c1cc(F)ccn1.
What is the InChIKey of 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The InChIKey is LGRAUAXHSYCOTJ-GCJBXRQNSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-3-14(21)17(4-2)25-18-7-5-6-15(13(18)11-23-25)24-19(26)16-10-12(20)8-9-22-16/h3-4,8-11,15H,5-7H2,1-2H3,(H,24,26)/b14-3+,17-4+/t15-/m1/s1.
What are the key properties of 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4R)-1-[(2E,4E)-4-fluorohexa-2,4-dien-3-yl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 129127266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).