(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol

C27H24N6O3 — CID 25034080

IUPAC(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1c(-c1ccc(-c3cccc(-c4ccccn4)n3)cc1)cn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C27H24N6O3/c28-26-25-18(13-33(27(25)31-15-30-26)24-12-22(35)23(14-34)36-24)16-7-9-17(10-8-16)19-5-3-6-21(32-19)20-4-1-2-11-29-20/h1-11,13,15,22-24,34-35H,12,14H2,(H2,28,30,31)/t22-,23+,24+/m0/s1
InChIKeyWSFYPYCYFRXRRN-RBZQAINGSA-N
MW480.53 g/mol
LogP3.45
Rot. Bonds5

About (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 25034080) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID25034080
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1c(-c1ccc(-c3cccc(-c4ccccn4)n3)cc1)cn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C27H24N6O3/c28-26-25-18(13-33(27(25)31-15-30-26)24-12-22(35)23(14-34)36-24)16-7-9-17(10-8-16)19-5-3-6-21(32-19)20-4-1-2-11-29-20/h1-11,13,15,22-24,34-35H,12,14H2,(H2,28,30,31)/t22-,23+,24+/m0/s1
InChIKeyWSFYPYCYFRXRRN-RBZQAINGSA-N
XLogP3.45
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 25034080) is (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol is Nc1ncnc2c1c(-c1ccc(-c3cccc(-c4ccccn4)n3)cc1)cn2[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is WSFYPYCYFRXRRN-RBZQAINGSA-N. The full InChI is InChI=1S/C27H24N6O3/c28-26-25-18(13-33(27(25)31-15-30-26)24-12-22(35)23(14-34)36-24)16-7-9-17(10-8-16)19-5-3-6-21(32-19)20-4-1-2-11-29-20/h1-11,13,15,22-24,34-35H,12,14H2,(H2,28,30,31)/t22-,23+,24+/m0/s1.
What are the key properties of (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 480.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 25034080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).