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

C19H17FN4O — CID 42216319

IUPACN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccn1
InChIInChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)/t15-/m1/s1
InChIKeyNVQPQLKFUOFZLS-OAHLLOKOSA-N
MW336.37 g/mol
LogP3.21
Rot. Bonds3

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

N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (PubChem CID 42216319) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
PubChem CID42216319
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccn1
InChIInChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)/t15-/m1/s1
InChIKeyNVQPQLKFUOFZLS-OAHLLOKOSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.21
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]pyridine-2-carboxamide?
The IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (CID 42216319) is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccn1.
What is the InChIKey of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The InChIKey is NVQPQLKFUOFZLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.21, 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]pyridine-2-carboxamide is sourced from PubChem (CID 42216319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).