(2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol

C18H23N7O — CID 172621643

IUPAC(2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol
SMILESCc1c(-c2cnn(C3CN(C)C3)c2)nc(N2C[C@@H](O)[C@@H]2C)c2nccn12
InChIInChI=1S/C18H23N7O/c1-11-15(26)10-24(11)18-17-19-4-5-23(17)12(2)16(21-18)13-6-20-25(7-13)14-8-22(3)9-14/h4-7,11,14-15,26H,8-10H2,1-3H3/t11-,15+/m0/s1
InChIKeyROYOLZLZCBOHKO-XHDPSFHLSA-N
MW353.43 g/mol
LogP0.96
Rot. Bonds3

About (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol

(2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol (PubChem CID 172621643) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol
PubChem CID172621643
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name(2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol
SMILESCc1c(-c2cnn(C3CN(C)C3)c2)nc(N2C[C@@H](O)[C@@H]2C)c2nccn12
InChIInChI=1S/C18H23N7O/c1-11-15(26)10-24(11)18-17-19-4-5-23(17)12(2)16(21-18)13-6-20-25(7-13)14-8-22(3)9-14/h4-7,11,14-15,26H,8-10H2,1-3H3/t11-,15+/m0/s1
InChIKeyROYOLZLZCBOHKO-XHDPSFHLSA-N
XLogP0.96
TPSA74.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol?
The IUPAC name of (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol (CID 172621643) is (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol.
What is the SMILES notation for (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol?
The canonical SMILES for (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol is Cc1c(-c2cnn(C3CN(C)C3)c2)nc(N2C[C@@H](O)[C@@H]2C)c2nccn12.
What is the InChIKey of (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol?
The InChIKey is ROYOLZLZCBOHKO-XHDPSFHLSA-N. The full InChI is InChI=1S/C18H23N7O/c1-11-15(26)10-24(11)18-17-19-4-5-23(17)12(2)16(21-18)13-6-20-25(7-13)14-8-22(3)9-14/h4-7,11,14-15,26H,8-10H2,1-3H3/t11-,15+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol?
(2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol has a molecular weight of 353.43 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-1-[5-methyl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]azetidin-3-ol is sourced from PubChem (CID 172621643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).