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

C22H25N7O2 — CID 121378477

IUPAC(2R)-3-[4-[4-[1-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESOC[C@H](O)Cn1cc(-c2cn3nccc3c(-c3cnn(C(C4CC4)C4CC4)c3)n2)cn1
InChIInChI=1S/C22H25N7O2/c30-13-18(31)11-27-9-16(7-24-27)19-12-28-20(5-6-23-28)21(26-19)17-8-25-29(10-17)22(14-1-2-14)15-3-4-15/h5-10,12,14-15,18,22,30-31H,1-4,11,13H2/t18-/m1/s1
InChIKeyJTYBFCFEYKYPMC-GOSISDBHSA-N
MW419.49 g/mol
LogP2.17
Rot. Bonds8

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

(2R)-3-[4-[4-[1-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121378477) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-(dicyclopropylmethyl)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-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121378477
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name(2R)-3-[4-[4-[1-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESOC[C@H](O)Cn1cc(-c2cn3nccc3c(-c3cnn(C(C4CC4)C4CC4)c3)n2)cn1
InChIInChI=1S/C22H25N7O2/c30-13-18(31)11-27-9-16(7-24-27)19-12-28-20(5-6-23-28)21(26-19)17-8-25-29(10-17)22(14-1-2-14)15-3-4-15/h5-10,12,14-15,18,22,30-31H,1-4,11,13H2/t18-/m1/s1
InChIKeyJTYBFCFEYKYPMC-GOSISDBHSA-N
XLogP2.17
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.17
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-(dicyclopropylmethyl)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-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121378477) is (2R)-3-[4-[4-[1-(dicyclopropylmethyl)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-(dicyclopropylmethyl)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-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is OC[C@H](O)Cn1cc(-c2cn3nccc3c(-c3cnn(C(C4CC4)C4CC4)c3)n2)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is JTYBFCFEYKYPMC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N7O2/c30-13-18(31)11-27-9-16(7-24-27)19-12-28-20(5-6-23-28)21(26-19)17-8-25-29(10-17)22(14-1-2-14)15-3-4-15/h5-10,12,14-15,18,22,30-31H,1-4,11,13H2/t18-/m1/s1.
What are the key properties of (2R)-3-[4-[4-[1-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 419.49 g/mol, XLogP of 2.17, 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-(dicyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121378477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).