1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol

C25H29N7O3 — CID 155301191

IUPAC1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(OCC(C)O)cn5ncnc45)cn3)CC2)cn1
InChIInChI=1S/C25H29N7O3/c1-18(33)16-35-21-11-22(25-28-17-29-32(25)15-21)20-4-5-23(26-13-20)31-9-7-30(8-10-31)14-19-3-6-24(34-2)27-12-19/h3-6,11-13,15,17-18,33H,7-10,14,16H2,1-2H3
InChIKeyIGXORQACYSQUCM-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.28
Rot. Bonds8

About 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol

1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol (PubChem CID 155301191) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol
PubChem CID155301191
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(OCC(C)O)cn5ncnc45)cn3)CC2)cn1
InChIInChI=1S/C25H29N7O3/c1-18(33)16-35-21-11-22(25-28-17-29-32(25)15-21)20-4-5-23(26-13-20)31-9-7-30(8-10-31)14-19-3-6-24(34-2)27-12-19/h3-6,11-13,15,17-18,33H,7-10,14,16H2,1-2H3
InChIKeyIGXORQACYSQUCM-UHFFFAOYSA-N
XLogP2.28
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol?
The IUPAC name of 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol (CID 155301191) is 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol.
What is the SMILES notation for 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol?
The canonical SMILES for 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol is COc1ccc(CN2CCN(c3ccc(-c4cc(OCC(C)O)cn5ncnc45)cn3)CC2)cn1.
What is the InChIKey of 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol?
The InChIKey is IGXORQACYSQUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-18(33)16-35-21-11-22(25-28-17-29-32(25)15-21)20-4-5-23(26-13-20)31-9-7-30(8-10-31)14-19-3-6-24(34-2)27-12-19/h3-6,11-13,15,17-18,33H,7-10,14,16H2,1-2H3.
What are the key properties of 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol?
1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol has a molecular weight of 475.55 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]propan-2-ol is sourced from PubChem (CID 155301191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).