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

C20H23F2N7O2 — CID 121378296

IUPAC(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F
InChIInChI=1S/C20H23F2N7O2/c1-3-18(20(2,21)22)29-9-14(7-25-29)19-17-4-5-23-28(17)11-16(26-19)13-6-24-27(8-13)10-15(31)12-30/h4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t15-,18?/m1/s1
InChIKeyIHZCYGIKKXIIOQ-NNJIEVJOSA-N
MW431.45 g/mol
LogP2.42
Rot. Bonds8

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

(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121378296) has the molecular formula C20H23F2N7O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121378296
Molecular FormulaC20H23F2N7O2
Molecular Weight431.45 g/mol
Exact Mass431.19
IUPAC Name(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F
InChIInChI=1S/C20H23F2N7O2/c1-3-18(20(2,21)22)29-9-14(7-25-29)19-17-4-5-23-28(17)11-16(26-19)13-6-24-27(8-13)10-15(31)12-30/h4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t15-,18?/m1/s1
InChIKeyIHZCYGIKKXIIOQ-NNJIEVJOSA-N
XLogP2.42
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121378296) is (2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)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-(2,2-difluoropentan-3-yl)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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CCC(n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1)C(C)(F)F.
What is the InChIKey of (2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is IHZCYGIKKXIIOQ-NNJIEVJOSA-N. The full InChI is InChI=1S/C20H23F2N7O2/c1-3-18(20(2,21)22)29-9-14(7-25-29)19-17-4-5-23-28(17)11-16(26-19)13-6-24-27(8-13)10-15(31)12-30/h4-9,11,15,18,30-31H,3,10,12H2,1-2H3/t15-,18?/m1/s1.
What are the key properties of (2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 431.45 g/mol, XLogP of 2.42, 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-(2,2-difluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121378296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).