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

C23H26N6O3 — CID 155159064

IUPAC7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol
SMILESNc1ncnc2c1ccn2C1CC2(COC(CCc3ccn4ccnc4c3)C2)C(O)C1O
InChIInChI=1S/C23H26N6O3/c24-21-16-4-7-29(22(16)27-13-26-21)17-11-23(20(31)19(17)30)10-15(32-12-23)2-1-14-3-6-28-8-5-25-18(28)9-14/h3-9,13,15,17,19-20,30-31H,1-2,10-12H2,(H2,24,26,27)
InChIKeyAHTVUITVLYCMEK-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.74
Rot. Bonds4

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

7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol (PubChem CID 155159064) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol.

Molecular Properties

Compound Name7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol
PubChem CID155159064
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol
SMILESNc1ncnc2c1ccn2C1CC2(COC(CCc3ccn4ccnc4c3)C2)C(O)C1O
InChIInChI=1S/C23H26N6O3/c24-21-16-4-7-29(22(16)27-13-26-21)17-11-23(20(31)19(17)30)10-15(32-12-23)2-1-14-3-6-28-8-5-25-18(28)9-14/h3-9,13,15,17,19-20,30-31H,1-2,10-12H2,(H2,24,26,27)
InChIKeyAHTVUITVLYCMEK-UHFFFAOYSA-N
XLogP1.74
TPSA123.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2,4-dihydro-1H-pyrido[2,3-d][1,3]oxazin-6-yl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
CID 164984530
(3R,5R,7R,8S,9R)-3-(6-amino-3-pyridinyl)-7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
CID 155158336
(3S,5S,7R,8S,9R)-7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-phenylethyl)-2-azaspiro[4.4]nonane-8,9-diol
CID 167119054
(8R)-7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-benzyl-2-azaspiro[4.4]nonane-8,9-diol
CID 167119094
(3S,5R,7R,8S,9R)-7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(3-bromo-2-chloroquinolin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
CID 155158357
(2R,3S,4R,5S,8R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-8-phenyl-7-azaspiro[4.5]decane-3,4-diol
CID 155159365
(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(2-quinoxalin-6-ylethyl)cyclopentane-1,2-diol
CID 166635108
(3S,5R,7R,8S,9R)-3-[2-(6-amino-2-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;(3S,5R,7R,8S,9R)-3-[2-(6-amino-3-pyridinyl)ethyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;(3S,5R,7R,8S,9R)-3-[(6-amino-3-pyridinyl)methyl]-7-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol;(3R,5R,7R,8S,9R)-3-(3-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 164993178
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
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 172806885
3-[(3-bromo-2-chloroquinolin-7-yl)methyl]-7-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-oxaspiro[4.4]nonane-8,9-diol
CID 155158370
(2R,3S,4R,5S,8S)-8-(2-amino-3-bromoquinolin-7-yl)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)spiro[4.4]nonane-3,4-diol
CID 155158366

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol?
The IUPAC name of 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol (CID 155159064) is 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol.
What is the SMILES notation for 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol?
The canonical SMILES for 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol is Nc1ncnc2c1ccn2C1CC2(COC(CCc3ccn4ccnc4c3)C2)C(O)C1O.
What is the InChIKey of 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol?
The InChIKey is AHTVUITVLYCMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c24-21-16-4-7-29(22(16)27-13-26-21)17-11-23(20(31)19(17)30)10-15(32-12-23)2-1-14-3-6-28-8-5-25-18(28)9-14/h3-9,13,15,17,19-20,30-31H,1-2,10-12H2,(H2,24,26,27).
What are the key properties of 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol?
7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol has a molecular weight of 434.50 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-imidazo[1,2-a]pyridin-7-ylethyl)-2-oxaspiro[4.4]nonane-8,9-diol is sourced from PubChem (CID 155159064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).