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

C22H27N7O2 — CID 163598246

IUPAC(2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCC1(C)CCCC1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N7O2/c1-22(2)6-3-4-20(22)29-11-16(9-25-29)21-19-5-7-23-28(19)13-18(26-21)15-8-24-27(10-15)12-17(31)14-30/h5,7-11,13,17,20,30-31H,3-4,6,12,14H2,1-2H3/t17-,20?/m1/s1
InChIKeyGVILQOVWHWVBRQ-DIAVIDTQSA-N
MW421.51 g/mol
LogP2.56
Rot. Bonds6

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

(2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 163598246) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is (2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)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-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID163598246
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name(2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCC1(C)CCCC1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N7O2/c1-22(2)6-3-4-20(22)29-11-16(9-25-29)21-19-5-7-23-28(19)13-18(26-21)15-8-24-27(10-15)12-17(31)14-30/h5,7-11,13,17,20,30-31H,3-4,6,12,14H2,1-2H3/t17-,20?/m1/s1
InChIKeyGVILQOVWHWVBRQ-DIAVIDTQSA-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

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Related Compounds

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(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121391064

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)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-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 163598246) is (2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)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-dimethylcyclopentyl)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-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CC1(C)CCCC1n1cc(-c2nc(-c3cnn(C[C@@H](O)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is GVILQOVWHWVBRQ-DIAVIDTQSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-22(2)6-3-4-20(22)29-11-16(9-25-29)21-19-5-7-23-28(19)13-18(26-21)15-8-24-27(10-15)12-17(31)14-30/h5,7-11,13,17,20,30-31H,3-4,6,12,14H2,1-2H3/t17-,20?/m1/s1.
What are the key properties of (2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-[1-(2,2-dimethylcyclopentyl)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-(2,2-dimethylcyclopentyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 163598246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).