[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone

C24H24FN5O — CID 118674465

IUPAC[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
SMILESCC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C24H24FN5O/c1-24(2)10-16(14-29(24)23(31)18-4-3-5-21(25)9-18)15-30-22-7-6-17(8-19(22)13-28-30)20-11-26-27-12-20/h3-9,11-13,16H,10,14-15H2,1-2H3,(H,26,27)
InChIKeyPLGDAMVTTSUSAX-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.51
Rot. Bonds4

About [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone

[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 118674465) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID118674465
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
SMILESCC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C24H24FN5O/c1-24(2)10-16(14-29(24)23(31)18-4-3-5-21(25)9-18)15-30-22-7-6-17(8-19(22)13-28-30)20-11-26-27-12-20/h3-9,11-13,16H,10,14-15H2,1-2H3,(H,26,27)
InChIKeyPLGDAMVTTSUSAX-UHFFFAOYSA-N
XLogP4.51
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone (CID 118674465) is [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone is CC1(C)CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1cccc(F)c1.
What is the InChIKey of [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is PLGDAMVTTSUSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-24(2)10-16(14-29(24)23(31)18-4-3-5-21(25)9-18)15-30-22-7-6-17(8-19(22)13-28-30)20-11-26-27-12-20/h3-9,11-13,16H,10,14-15H2,1-2H3,(H,26,27).
What are the key properties of [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?
[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 417.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 118674465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).