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

C24H21FN4O2 — CID 129104739

IUPACN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C24H21FN4O2/c1-31-23-13-20(27-18-9-4-2-7-15(18)23)24(30)28-19-10-6-12-21-16(19)14-26-29(21)22-11-5-3-8-17(22)25/h2-5,7-9,11,13-14,19H,6,10,12H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeyNJQWRORJKHELLK-LJQANCHMSA-N
MW416.46 g/mol
LogP4.38
Rot. Bonds4

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

N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide (PubChem CID 129104739) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide
PubChem CID129104739
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C24H21FN4O2/c1-31-23-13-20(27-18-9-4-2-7-15(18)23)24(30)28-19-10-6-12-21-16(19)14-26-29(21)22-11-5-3-8-17(22)25/h2-5,7-9,11,13-14,19H,6,10,12H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeyNJQWRORJKHELLK-LJQANCHMSA-N
XLogP4.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide with MolForge

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Related Compounds

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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-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide (CID 129104739) is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide is COc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)nc2ccccc12.
What is the InChIKey of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide?
The InChIKey is NJQWRORJKHELLK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-31-23-13-20(27-18-9-4-2-7-15(18)23)24(30)28-19-10-6-12-21-16(19)14-26-29(21)22-11-5-3-8-17(22)25/h2-5,7-9,11,13-14,19H,6,10,12H2,1H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide?
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methoxyquinoline-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 129104739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).