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

C23H28N8O2 — CID 121378367

IUPAC(2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)[C@@H](C)O)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H28N8O2/c1-4-18(5-2)29-11-17(9-26-29)22-21-6-7-24-31(21)14-20(27-22)16-8-25-30(10-16)19-12-28(13-19)23(33)15(3)32/h6-11,14-15,18-19,32H,4-5,12-13H2,1-3H3/t15-/m1/s1
InChIKeyVYIVPIOHJVLMDT-OAHLLOKOSA-N
MW448.53 g/mol
LogP2.58
Rot. Bonds7

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

(2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one (PubChem CID 121378367) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one
PubChem CID121378367
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name(2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)[C@@H](C)O)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H28N8O2/c1-4-18(5-2)29-11-17(9-26-29)22-21-6-7-24-31(21)14-20(27-22)16-8-25-30(10-16)19-12-28(13-19)23(33)15(3)32/h6-11,14-15,18-19,32H,4-5,12-13H2,1-3H3/t15-/m1/s1
InChIKeyVYIVPIOHJVLMDT-OAHLLOKOSA-N
XLogP2.58
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one (CID 121378367) is (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one is CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)[C@@H](C)O)C4)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The InChIKey is VYIVPIOHJVLMDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-4-18(5-2)29-11-17(9-26-29)22-21-6-7-24-31(21)14-20(27-22)16-8-25-30(10-16)19-12-28(13-19)23(33)15(3)32/h6-11,14-15,18-19,32H,4-5,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
(2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one has a molecular weight of 448.53 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 121378367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).