(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol

C22H25F2N7O2 — CID 121391049

IUPAC(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(C1CC(F)(F)C1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H25F2N7O2/c1-2-19(14-5-22(23,24)6-14)30-10-16(8-27-30)21-20-3-4-25-31(20)12-18(28-21)15-7-26-29(9-15)11-17(33)13-32/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3/t17-,19?/m1/s1
InChIKeyITIFSOSGXOSPND-DUSLRRAJSA-N
MW457.49 g/mol
LogP2.81
Rot. Bonds8

About (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol

(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121391049) has the molecular formula C22H25F2N7O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121391049
Molecular FormulaC22H25F2N7O2
Molecular Weight457.49 g/mol
Exact Mass457.20
IUPAC Name(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(C1CC(F)(F)C1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H25F2N7O2/c1-2-19(14-5-22(23,24)6-14)30-10-16(8-27-30)21-20-3-4-25-31(20)12-18(28-21)15-7-26-29(9-15)11-17(33)13-32/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3/t17-,19?/m1/s1
InChIKeyITIFSOSGXOSPND-DUSLRRAJSA-N
XLogP2.81
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121391049) is (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CCC(C1CC(F)(F)C1)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is ITIFSOSGXOSPND-DUSLRRAJSA-N. The full InChI is InChI=1S/C22H25F2N7O2/c1-2-19(14-5-22(23,24)6-14)30-10-16(8-27-30)21-20-3-4-25-31(20)12-18(28-21)15-7-26-29(9-15)11-17(33)13-32/h3-4,7-10,12,14,17,19,32-33H,2,5-6,11,13H2,1H3/t17-,19?/m1/s1.
What are the key properties of (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 457.49 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[4-[1-[1-(3,3-difluorocyclobutyl)propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121391049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).