3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol

C23H25N5O3 — CID 165073292

IUPAC3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
SMILESCc1cn2ccc(C3CC4(CO3)CC(n3ccc5c(C)ncnc53)C(O)C4O)cc2n1
InChIInChI=1S/C23H25N5O3/c1-13-10-27-5-3-15(7-19(27)26-13)18-9-23(11-31-18)8-17(20(29)21(23)30)28-6-4-16-14(2)24-12-25-22(16)28/h3-7,10,12,17-18,20-21,29-30H,8-9,11H2,1-2H3
InChIKeyULCXBLXQUCAVFC-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.51
Rot. Bonds2

About 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol

3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol (PubChem CID 165073292) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol.

Molecular Properties

Compound Name3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
PubChem CID165073292
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
SMILESCc1cn2ccc(C3CC4(CO3)CC(n3ccc5c(C)ncnc53)C(O)C4O)cc2n1
InChIInChI=1S/C23H25N5O3/c1-13-10-27-5-3-15(7-19(27)26-13)18-9-23(11-31-18)8-17(20(29)21(23)30)28-6-4-16-14(2)24-12-25-22(16)28/h3-7,10,12,17-18,20-21,29-30H,8-9,11H2,1-2H3
InChIKeyULCXBLXQUCAVFC-UHFFFAOYSA-N
XLogP2.51
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol?
The IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol (CID 165073292) is 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol.
What is the SMILES notation for 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol?
The canonical SMILES for 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol is Cc1cn2ccc(C3CC4(CO3)CC(n3ccc5c(C)ncnc53)C(O)C4O)cc2n1.
What is the InChIKey of 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol?
The InChIKey is ULCXBLXQUCAVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-13-10-27-5-3-15(7-19(27)26-13)18-9-23(11-31-18)8-17(20(29)21(23)30)28-6-4-16-14(2)24-12-25-22(16)28/h3-7,10,12,17-18,20-21,29-30H,8-9,11H2,1-2H3.
What are the key properties of 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol?
3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol has a molecular weight of 419.49 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[1,2-a]pyridin-7-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol is sourced from PubChem (CID 165073292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).