8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol

C23H23N7O2 — CID 155300889

IUPAC8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(O)cn5ncnc45)cn2)C3)cn1
InChIInChI=1S/C23H23N7O2/c1-32-22-5-2-15(8-25-22)10-29-17-6-18(29)12-28(11-17)21-4-3-16(9-24-21)20-7-19(31)13-30-23(20)26-14-27-30/h2-5,7-9,13-14,17-18,31H,6,10-12H2,1H3
InChIKeyGVZGCGVSTFICFT-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.36
Rot. Bonds5

About 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol

8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol (PubChem CID 155300889) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
PubChem CID155300889
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(O)cn5ncnc45)cn2)C3)cn1
InChIInChI=1S/C23H23N7O2/c1-32-22-5-2-15(8-25-22)10-29-17-6-18(29)12-28(11-17)21-4-3-16(9-24-21)20-7-19(31)13-30-23(20)26-14-27-30/h2-5,7-9,13-14,17-18,31H,6,10-12H2,1H3
InChIKeyGVZGCGVSTFICFT-UHFFFAOYSA-N
XLogP2.36
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The IUPAC name of 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol (CID 155300889) is 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(O)cn5ncnc45)cn2)C3)cn1.
What is the InChIKey of 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
The InChIKey is GVZGCGVSTFICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-32-22-5-2-15(8-25-22)10-29-17-6-18(29)12-28(11-17)21-4-3-16(9-24-21)20-7-19(31)13-30-23(20)26-14-27-30/h2-5,7-9,13-14,17-18,31H,6,10-12H2,1H3.
What are the key properties of 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol?
8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol has a molecular weight of 429.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 155300889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).