4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane

C25H26F2N4O3 — CID 169231298

IUPAC4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane
SMILESC1CCOC1.CC(O)c1cc2c(-c3cn(CC(F)F)nc3-c3ccccc3)ncnc2cc1O
InChIInChI=1S/C21H18F2N4O2.C4H8O/c1-12(28)14-7-15-17(8-18(14)29)24-11-25-21(15)16-9-27(10-19(22)23)26-20(16)13-5-3-2-4-6-13;1-2-4-5-3-1/h2-9,11-12,19,28-29H,10H2,1H3;1-4H2
InChIKeyVSTWQZHAUYWLLH-UHFFFAOYSA-N
MW468.50 g/mol
LogP4.98
Rot. Bonds5

About 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane

4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane (PubChem CID 169231298) has the molecular formula C25H26F2N4O3 and a molecular weight of 468.50 g/mol. Its IUPAC name is 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane.

Molecular Properties

Compound Name4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane
PubChem CID169231298
Molecular FormulaC25H26F2N4O3
Molecular Weight468.50 g/mol
Exact Mass468.20
IUPAC Name4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane
SMILESC1CCOC1.CC(O)c1cc2c(-c3cn(CC(F)F)nc3-c3ccccc3)ncnc2cc1O
InChIInChI=1S/C21H18F2N4O2.C4H8O/c1-12(28)14-7-15-17(8-18(14)29)24-11-25-21(15)16-9-27(10-19(22)23)26-20(16)13-5-3-2-4-6-13;1-2-4-5-3-1/h2-9,11-12,19,28-29H,10H2,1H3;1-4H2
InChIKeyVSTWQZHAUYWLLH-UHFFFAOYSA-N
XLogP4.98
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane with MolForge

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Related Compounds

US10172859, Example 191
CID 118954823
US10172859, Example 197
CID 118954976
US20250236608, Example 489
CID 169230973
US20250236608, Example 445
CID 169231022
US20250236608, Example 118
CID 169231311
US20250236608, Example 117
CID 169231337
US20250236608, Example 126
CID 169231345
US20250236608, Example 490
CID 169231374
US20250236608, Example 127
CID 169231517
US20250236608, Example 101
CID 169231540
US20250236608, Example 102
CID 169231632
US20250236608, Example 446
CID 169231840

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane?
The IUPAC name of 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane (CID 169231298) is 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane.
What is the SMILES notation for 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane?
The canonical SMILES for 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane is C1CCOC1.CC(O)c1cc2c(-c3cn(CC(F)F)nc3-c3ccccc3)ncnc2cc1O.
What is the InChIKey of 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane?
The InChIKey is VSTWQZHAUYWLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2.C4H8O/c1-12(28)14-7-15-17(8-18(14)29)24-11-25-21(15)16-9-27(10-19(22)23)26-20(16)13-5-3-2-4-6-13;1-2-4-5-3-1/h2-9,11-12,19,28-29H,10H2,1H3;1-4H2.
What are the key properties of 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane?
4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane has a molecular weight of 468.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-6-(1-hydroxyethyl)quinazolin-7-ol;oxolane is sourced from PubChem (CID 169231298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).