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

C22H28N8O — CID 121390937

IUPAC(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCNC[C@H]4O)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O/c1-3-17(4-2)28-13-16(10-25-28)22-20-6-8-24-30(20)14-18(27-22)15-9-26-29(12-15)19-5-7-23-11-21(19)31/h6,8-10,12-14,17,19,21,23,31H,3-5,7,11H2,1-2H3/t19?,21-/m1/s1
InChIKeyPRDYSVHWSCSUOP-VGAJERRHSA-N
MW420.52 g/mol
LogP2.71
Rot. Bonds6

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

(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol (PubChem CID 121390937) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol
PubChem CID121390937
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCNC[C@H]4O)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O/c1-3-17(4-2)28-13-16(10-25-28)22-20-6-8-24-30(20)14-18(27-22)15-9-26-29(12-15)19-5-7-23-11-21(19)31/h6,8-10,12-14,17,19,21,23,31H,3-5,7,11H2,1-2H3/t19?,21-/m1/s1
InChIKeyPRDYSVHWSCSUOP-VGAJERRHSA-N
XLogP2.71
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol?
The IUPAC name of (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol (CID 121390937) is (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol?
The canonical SMILES for (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCNC[C@H]4O)c3)cn3nccc23)cn1.
What is the InChIKey of (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol?
The InChIKey is PRDYSVHWSCSUOP-VGAJERRHSA-N. The full InChI is InChI=1S/C22H28N8O/c1-3-17(4-2)28-13-16(10-25-28)22-20-6-8-24-30(20)14-18(27-22)15-9-26-29(12-15)19-5-7-23-11-21(19)31/h6,8-10,12-14,17,19,21,23,31H,3-5,7,11H2,1-2H3/t19?,21-/m1/s1.
What are the key properties of (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol?
(3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol has a molecular weight of 420.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-3-ol is sourced from PubChem (CID 121390937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).