N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide

C22H24FN5O — CID 24792097

IUPACN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CCc2cnccn2)C1
InChIInChI=1S/C22H24FN5O/c1-22(2)11-19(27-21(29)7-6-16-13-24-8-9-25-16)18-14-26-28(20(18)12-22)17-5-3-4-15(23)10-17/h3-5,8-10,13-14,19H,6-7,11-12H2,1-2H3,(H,27,29)
InChIKeyVBAIXCKMMGJZFD-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.56
Rot. Bonds5

About N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide (PubChem CID 24792097) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide
PubChem CID24792097
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CCc2cnccn2)C1
InChIInChI=1S/C22H24FN5O/c1-22(2)11-19(27-21(29)7-6-16-13-24-8-9-25-16)18-14-26-28(20(18)12-22)17-5-3-4-15(23)10-17/h3-5,8-10,13-14,19H,6-7,11-12H2,1-2H3,(H,27,29)
InChIKeyVBAIXCKMMGJZFD-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide with MolForge

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Related Compounds

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pent-4-enamide
CID 23723494
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyridine-2-carboxamide
CID 16192366
US10889564, Example 1
CID 24819270
US10889564, Example 3
CID 42216319
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide
CID 42288156
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
CID 91668213
US10889564, Example 25
CID 129104686
US10889564, Example 41
CID 129104732
US10889564, Example 47
CID 129104747
US10889564, Example 39
CID 129104758

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide (CID 24792097) is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide is CC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CCc2cnccn2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide?
The InChIKey is VBAIXCKMMGJZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-22(2)11-19(27-21(29)7-6-16-13-24-8-9-25-16)18-14-26-28(20(18)12-22)17-5-3-4-15(23)10-17/h3-5,8-10,13-14,19H,6-7,11-12H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide?
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-pyrazin-2-ylpropanamide has a molecular weight of 393.47 g/mol, XLogP of 3.56, 5 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]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 24792097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).