3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one

C19H18FN5O — CID 30326660

IUPAC3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(Nc3ccccc3F)nn(-c3ncccn3)c2C1
InChIInChI=1S/C19H18FN5O/c1-19(2)10-14-16(15(26)11-19)17(23-13-7-4-3-6-12(13)20)24-25(14)18-21-8-5-9-22-18/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyDPNNUPWDTDFPIA-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.70
Rot. Bonds3

About 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one

3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one (PubChem CID 30326660) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one
PubChem CID30326660
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC Name3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(Nc3ccccc3F)nn(-c3ncccn3)c2C1
InChIInChI=1S/C19H18FN5O/c1-19(2)10-14-16(15(26)11-19)17(23-13-7-4-3-6-12(13)20)24-25(14)18-21-8-5-9-22-18/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyDPNNUPWDTDFPIA-UHFFFAOYSA-N
XLogP3.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one?
The IUPAC name of 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one (CID 30326660) is 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one?
The canonical SMILES for 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2c(Nc3ccccc3F)nn(-c3ncccn3)c2C1.
What is the InChIKey of 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one?
The InChIKey is DPNNUPWDTDFPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-19(2)10-14-16(15(26)11-19)17(23-13-7-4-3-6-12(13)20)24-25(14)18-21-8-5-9-22-18/h3-9H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one?
3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one has a molecular weight of 351.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 30326660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).