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

C21H23F2N7O2 — CID 121390949

IUPAC(2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC([C@@H]1CC1(F)F)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C21H23F2N7O2/c1-2-18(16-5-21(16,22)23)29-9-14(7-26-29)20-19-3-4-24-30(19)11-17(27-20)13-6-25-28(8-13)10-15(32)12-31/h3-4,6-9,11,15-16,18,31-32H,2,5,10,12H2,1H3/t15-,16+,18?/m1/s1
InChIKeyHQYCIYSQINFXHM-LNKXUWQBSA-N
MW443.46 g/mol
LogP2.42
Rot. Bonds8

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

(2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121390949) has the molecular formula C21H23F2N7O2 and a molecular weight of 443.46 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121390949
Molecular FormulaC21H23F2N7O2
Molecular Weight443.46 g/mol
Exact Mass443.19
IUPAC Name(2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC([C@@H]1CC1(F)F)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C21H23F2N7O2/c1-2-18(16-5-21(16,22)23)29-9-14(7-26-29)20-19-3-4-24-30(19)11-17(27-20)13-6-25-28(8-13)10-15(32)12-31/h3-4,6-9,11,15-16,18,31-32H,2,5,10,12H2,1H3/t15-,16+,18?/m1/s1
InChIKeyHQYCIYSQINFXHM-LNKXUWQBSA-N
XLogP2.42
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]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-[(1S)-2,2-difluorocyclopropyl]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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121390949) is (2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]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-[(1S)-2,2-difluorocyclopropyl]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-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CCC([C@@H]1CC1(F)F)n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is HQYCIYSQINFXHM-LNKXUWQBSA-N. The full InChI is InChI=1S/C21H23F2N7O2/c1-2-18(16-5-21(16,22)23)29-9-14(7-26-29)20-19-3-4-24-30(19)11-17(27-20)13-6-25-28(8-13)10-15(32)12-31/h3-4,6-9,11,15-16,18,31-32H,2,5,10,12H2,1H3/t15-,16+,18?/m1/s1.
What are the key properties of (2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-[1-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 443.46 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-[1-[(1S)-2,2-difluorocyclopropyl]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121390949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).