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

C20H23N7O2 — CID 121378311

IUPAC(2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESC[C@@H]1CC[C@@H]1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C20H23N7O2/c1-13-2-3-18(13)26-9-15(7-23-26)20-19-4-5-21-27(19)11-17(24-20)14-6-22-25(8-14)10-16(29)12-28/h4-9,11,13,16,18,28-29H,2-3,10,12H2,1H3/t13-,16-,18+/m1/s1
InChIKeyHGTQRXMBFVRIFR-QBIMZIAESA-N
MW393.45 g/mol
LogP1.78
Rot. Bonds6

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

(2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121378311) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]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-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121378311
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name(2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESC[C@@H]1CC[C@@H]1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C20H23N7O2/c1-13-2-3-18(13)26-9-15(7-23-26)20-19-4-5-21-27(19)11-17(24-20)14-6-22-25(8-14)10-16(29)12-28/h4-9,11,13,16,18,28-29H,2-3,10,12H2,1H3/t13-,16-,18+/m1/s1
InChIKeyHGTQRXMBFVRIFR-QBIMZIAESA-N
XLogP1.78
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]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-[(1S,2R)-2-methylcyclobutyl]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-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121378311) is (2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]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-[(1S,2R)-2-methylcyclobutyl]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-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is C[C@@H]1CC[C@@H]1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is HGTQRXMBFVRIFR-QBIMZIAESA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-2-3-18(13)26-9-15(7-23-26)20-19-4-5-21-27(19)11-17(24-20)14-6-22-25(8-14)10-16(29)12-28/h4-9,11,13,16,18,28-29H,2-3,10,12H2,1H3/t13-,16-,18+/m1/s1.
What are the key properties of (2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 393.45 g/mol, XLogP of 1.78, 6 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-[(1S,2R)-2-methylcyclobutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121378311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).