(3R,5R,7R,8S,9R)-3-(6-fluoro-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

C23H24FN5O3 — CID 165003693

IUPAC(3R,5R,7R,8S,9R)-3-(6-fluoro-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
SMILESCc1ncnc2c1ccn2[C@@H]1C[C@@]2(CO[C@@H](c3cc4ncc(C)n4cc3F)C2)[C@@H](O)[C@H]1O
InChIInChI=1S/C23H24FN5O3/c1-12-8-25-19-5-15(16(24)9-29(12)19)18-7-23(10-32-18)6-17(20(30)21(23)31)28-4-3-14-13(2)26-11-27-22(14)28/h3-5,8-9,11,17-18,20-21,30-31H,6-7,10H2,1-2H3/t17-,18-,20+,21+,23-/m1/s1
InChIKeyLJEGCRSSHMJBLP-GHJIKITLSA-N
MW437.48 g/mol
LogP2.65
Rot. Bonds2

About (3R,5R,7R,8S,9R)-3-(6-fluoro-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

(3R,5R,7R,8S,9R)-3-(6-fluoro-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 (PubChem CID 165003693) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is (3R,5R,7R,8S,9R)-3-(6-fluoro-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.

Molecular Properties

Compound Name(3R,5R,7R,8S,9R)-3-(6-fluoro-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
PubChem CID165003693
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name(3R,5R,7R,8S,9R)-3-(6-fluoro-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
SMILESCc1ncnc2c1ccn2[C@@H]1C[C@@]2(CO[C@@H](c3cc4ncc(C)n4cc3F)C2)[C@@H](O)[C@H]1O
InChIInChI=1S/C23H24FN5O3/c1-12-8-25-19-5-15(16(24)9-29(12)19)18-7-23(10-32-18)6-17(20(30)21(23)31)28-4-3-14-13(2)26-11-27-22(14)28/h3-5,8-9,11,17-18,20-21,30-31H,6-7,10H2,1-2H3/t17-,18-,20+,21+,23-/m1/s1
InChIKeyLJEGCRSSHMJBLP-GHJIKITLSA-N
XLogP2.65
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,5R,7R,8S,9R)-3-(6-fluoro-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,7R,8S,9R)-3-(6-fluoro-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?
The IUPAC name of (3R,5R,7R,8S,9R)-3-(6-fluoro-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 165003693) is (3R,5R,7R,8S,9R)-3-(6-fluoro-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.
What is the SMILES notation for (3R,5R,7R,8S,9R)-3-(6-fluoro-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?
The canonical SMILES for (3R,5R,7R,8S,9R)-3-(6-fluoro-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 is Cc1ncnc2c1ccn2[C@@H]1C[C@@]2(CO[C@@H](c3cc4ncc(C)n4cc3F)C2)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,5R,7R,8S,9R)-3-(6-fluoro-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?
The InChIKey is LJEGCRSSHMJBLP-GHJIKITLSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-12-8-25-19-5-15(16(24)9-29(12)19)18-7-23(10-32-18)6-17(20(30)21(23)31)28-4-3-14-13(2)26-11-27-22(14)28/h3-5,8-9,11,17-18,20-21,30-31H,6-7,10H2,1-2H3/t17-,18-,20+,21+,23-/m1/s1.
What are the key properties of (3R,5R,7R,8S,9R)-3-(6-fluoro-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?
(3R,5R,7R,8S,9R)-3-(6-fluoro-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 has a molecular weight of 437.48 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,7R,8S,9R)-3-(6-fluoro-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 is sourced from PubChem (CID 165003693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).