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

C19H16F2N4O — CID 42288156

IUPACN-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccn1
InChIInChI=1S/C19H16F2N4O/c20-12-7-8-18(14(21)10-12)25-17-6-3-5-15(13(17)11-23-25)24-19(26)16-4-1-2-9-22-16/h1-2,4,7-11,15H,3,5-6H2,(H,24,26)/t15-/m1/s1
InChIKeyNEHMBGOWUSGTLI-OAHLLOKOSA-N
MW354.36 g/mol
LogP3.35
Rot. Bonds3

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

N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (PubChem CID 42288156) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
PubChem CID42288156
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccn1
InChIInChI=1S/C19H16F2N4O/c20-12-7-8-18(14(21)10-12)25-17-6-3-5-15(13(17)11-23-25)24-19(26)16-4-1-2-9-22-16/h1-2,4,7-11,15H,3,5-6H2,(H,24,26)/t15-/m1/s1
InChIKeyNEHMBGOWUSGTLI-OAHLLOKOSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (CID 42288156) is N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccn1.
What is the InChIKey of N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The InChIKey is NEHMBGOWUSGTLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-12-7-8-18(14(21)10-12)25-17-6-3-5-15(13(17)11-23-25)24-19(26)16-4-1-2-9-22-16/h1-2,4,7-11,15H,3,5-6H2,(H,24,26)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 42288156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).