3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

C21H25N5O2 — CID 118636609

IUPAC3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(-c3cc(C4CN(C5COC5)C4)n(C4CCOC4)n3)cc12
InChIInChI=1S/C21H25N5O2/c1-13-6-22-21-18(13)4-14(7-23-21)19-5-20(26(24-19)16-2-3-27-10-16)15-8-25(9-15)17-11-28-12-17/h4-7,15-17H,2-3,8-12H2,1H3,(H,22,23)
InChIKeyNBMJCFPOYJGAOH-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.49
Rot. Bonds4

About 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118636609) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID118636609
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(-c3cc(C4CN(C5COC5)C4)n(C4CCOC4)n3)cc12
InChIInChI=1S/C21H25N5O2/c1-13-6-22-21-18(13)4-14(7-23-21)19-5-20(26(24-19)16-2-3-27-10-16)15-8-25(9-15)17-11-28-12-17/h4-7,15-17H,2-3,8-12H2,1H3,(H,22,23)
InChIKeyNBMJCFPOYJGAOH-UHFFFAOYSA-N
XLogP2.49
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 118636609) is 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2ncc(-c3cc(C4CN(C5COC5)C4)n(C4CCOC4)n3)cc12.
What is the InChIKey of 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NBMJCFPOYJGAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-6-22-21-18(13)4-14(7-23-21)19-5-20(26(24-19)16-2-3-27-10-16)15-8-25(9-15)17-11-28-12-17/h4-7,15-17H,2-3,8-12H2,1H3,(H,22,23).
What are the key properties of 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 379.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[1-(oxetan-3-yl)azetidin-3-yl]-1-(oxolan-3-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118636609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).