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

C22H30N8O — CID 121378441

IUPAC(2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CN(C)C)c3)cn3nccc23)cn1
InChIInChI=1S/C22H30N8O/c1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)15-20(26-22)16-9-24-28(11-16)14-19(31)13-27(3)4/h7-12,15,18-19,31H,5-6,13-14H2,1-4H3/t19-/m1/s1
InChIKeyQMHIQYFDHQKWPO-LJQANCHMSA-N
MW422.54 g/mol
LogP2.74
Rot. Bonds9

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

(2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 121378441) has the molecular formula C22H30N8O and a molecular weight of 422.54 g/mol. Its IUPAC name is (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
PubChem CID121378441
Molecular FormulaC22H30N8O
Molecular Weight422.54 g/mol
Exact Mass422.25
IUPAC Name(2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CN(C)C)c3)cn3nccc23)cn1
InChIInChI=1S/C22H30N8O/c1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)15-20(26-22)16-9-24-28(11-16)14-19(31)13-27(3)4/h7-12,15,18-19,31H,5-6,13-14H2,1-4H3/t19-/m1/s1
InChIKeyQMHIQYFDHQKWPO-LJQANCHMSA-N
XLogP2.74
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(Cyanomethyl)-3-(4-(6-(1-methylpyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)pyrazol-1-yl)cyclobutane-1-carbonitrile
CID 130339268
2-[3-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
CID 155804555
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
2-[4-[3-[(1R)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68289397
2-[4-[3-[(1S)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68353991
US10144738, Example 7
CID 130339265
US10144738, Example 11
CID 130339270
US10144738, Example 15
CID 130339280
2-[1-Ethyl-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 130380621
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
(2R)-1-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 137633948

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (CID 121378441) is (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CN(C)C)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is QMHIQYFDHQKWPO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N8O/c1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)15-20(26-22)16-9-24-28(11-16)14-19(31)13-27(3)4/h7-12,15,18-19,31H,5-6,13-14H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
(2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 422.54 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 121378441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).