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

C20H16F4N4O — CID 129104758

IUPACN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H16F4N4O/c21-14-4-1-2-6-18(14)28-17-7-3-5-15(13(17)11-26-28)27-19(29)16-10-12(8-9-25-16)20(22,23)24/h1-2,4,6,8-11,15H,3,5,7H2,(H,27,29)/t15-/m1/s1
InChIKeyOVHBBHALQAGCJU-OAHLLOKOSA-N
MW404.37 g/mol
LogP4.23
Rot. Bonds3

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

N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 129104758) has the molecular formula C20H16F4N4O and a molecular weight of 404.37 g/mol. Its IUPAC name is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID129104758
Molecular FormulaC20H16F4N4O
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H16F4N4O/c21-14-4-1-2-6-18(14)28-17-7-3-5-15(13(17)11-26-28)27-19(29)16-10-12(8-9-25-16)20(22,23)24/h1-2,4,6,8-11,15H,3,5,7H2,(H,27,29)/t15-/m1/s1
InChIKeyOVHBBHALQAGCJU-OAHLLOKOSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 129104758) is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide is O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is OVHBBHALQAGCJU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16F4N4O/c21-14-4-1-2-6-18(14)28-17-7-3-5-15(13(17)11-26-28)27-19(29)16-10-12(8-9-25-16)20(22,23)24/h1-2,4,6,8-11,15H,3,5,7H2,(H,27,29)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 404.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 129104758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).