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

C22H27N7O2 — CID 121391020

IUPAC(2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESC[C@@H]1CCCC[C@H]1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18-,20-/m1/s1
InChIKeyWDHJXPHWQBPKAW-XFQXTVEOSA-N
MW421.51 g/mol
LogP2.56
Rot. Bonds6

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

(2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121391020) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]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-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121391020
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name(2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESC[C@@H]1CCCC[C@H]1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18-,20-/m1/s1
InChIKeyWDHJXPHWQBPKAW-XFQXTVEOSA-N
XLogP2.56
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 67469574
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 67470405
US10144738, Example 15
CID 130339280
2-methyl-1-(4-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrazol-1-yl)propan-2-ol
CID 71254249
2-[1-(2-Hydroxyethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 162664855
US10189845, Example 198A
CID 121378296
US10189845, Example 194A
CID 121378403
US11028093, Example 194
CID 121390939
US10189845, Example 204A
CID 121390949
US10189845, Example 210B
CID 121391017
US10189845, Example 193
CID 121391030
US11028093, Example 198
CID 121391031

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]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-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121391020) is (2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]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-[(1R,2R)-2-methylcyclohexyl]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-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is C[C@@H]1CCCC[C@H]1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is WDHJXPHWQBPKAW-XFQXTVEOSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18-,20-/m1/s1.
What are the key properties of (2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 421.51 g/mol, XLogP of 2.56, 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-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121391020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).