N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide

C24H22FN5O — CID 45214218

IUPACN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C24H22FN5O/c1-24(2)12-20(29-23(31)17-7-4-8-19-22(17)27-10-9-26-19)18-14-28-30(21(18)13-24)16-6-3-5-15(25)11-16/h3-11,14,20H,12-13H2,1-2H3,(H,29,31)
InChIKeyNJFURZIHAHWYFH-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.40
Rot. Bonds3

About N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide (PubChem CID 45214218) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide
PubChem CID45214218
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C24H22FN5O/c1-24(2)12-20(29-23(31)17-7-4-8-19-22(17)27-10-9-26-19)18-14-28-30(21(18)13-24)16-6-3-5-15(25)11-16/h3-11,14,20H,12-13H2,1-2H3,(H,29,31)
InChIKeyNJFURZIHAHWYFH-UHFFFAOYSA-N
XLogP4.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 97141764
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 97117627
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 72857429
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride
CID 154898311
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 42213796
2-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazole-3-carboxamide
CID 24817234
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazol-1-ylpropanamide
CID 45175775
3-[[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 26335145
2-(1,3-benzodioxol-5-yl)-N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 45216508
2-(3-chloro-6-oxopyridazin-1-yl)-N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 42509767
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321368
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321370

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide (CID 45214218) is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide is CC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)c2cccc3nccnc23)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide?
The InChIKey is NJFURZIHAHWYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-24(2)12-20(29-23(31)17-7-4-8-19-22(17)27-10-9-26-19)18-14-28-30(21(18)13-24)16-6-3-5-15(25)11-16/h3-11,14,20H,12-13H2,1-2H3,(H,29,31).
What are the key properties of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide?
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 45214218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).