1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

C25H24F2N6O2 — CID 122617142

IUPAC1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
SMILESO=c1c2ccc(-c3cnc(N4CCNCC4)nc3)cc2n2n1CCC2c1ccccc1OC(F)F
InChIInChI=1S/C25H24F2N6O2/c26-24(27)35-22-4-2-1-3-18(22)20-7-10-32-23(34)19-6-5-16(13-21(19)33(20)32)17-14-29-25(30-15-17)31-11-8-28-9-12-31/h1-6,13-15,20,24,28H,7-12H2
InChIKeyOPNQIKIEDDUVAZ-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (PubChem CID 122617142) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
PubChem CID122617142
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
SMILESO=c1c2ccc(-c3cnc(N4CCNCC4)nc3)cc2n2n1CCC2c1ccccc1OC(F)F
InChIInChI=1S/C25H24F2N6O2/c26-24(27)35-22-4-2-1-3-18(22)20-7-10-32-23(34)19-6-5-16(13-21(19)33(20)32)17-14-29-25(30-15-17)31-11-8-28-9-12-31/h1-6,13-15,20,24,28H,7-12H2
InChIKeyOPNQIKIEDDUVAZ-UHFFFAOYSA-N
XLogP3.26
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-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 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (CID 122617142) is 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is O=c1c2ccc(-c3cnc(N4CCNCC4)nc3)cc2n2n1CCC2c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?
The InChIKey is OPNQIKIEDDUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c26-24(27)35-22-4-2-1-3-18(22)20-7-10-32-23(34)19-6-5-16(13-21(19)33(20)32)17-14-29-25(30-15-17)31-11-8-28-9-12-31/h1-6,13-15,20,24,28H,7-12H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?
1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one has a molecular weight of 478.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-8-(2-piperazin-1-ylpyrimidin-5-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is sourced from PubChem (CID 122617142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).