8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C26H33N7O2 — CID 138686226

IUPAC8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(CC5CCOC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H33N7O2/c1-17(2)23-24(19-12-21(34-3)26-27-16-28-33(26)14-19)29-20-4-5-22(30-25(20)23)32-9-7-31(8-10-32)13-18-6-11-35-15-18/h4-5,12,14,16-18,29H,6-11,13,15H2,1-3H3
InChIKeyYCJUNTKEAMNOKG-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.56
Rot. Bonds6

About 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686226) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686226
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(CC5CCOC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H33N7O2/c1-17(2)23-24(19-12-21(34-3)26-27-16-28-33(26)14-19)29-20-4-5-22(30-25(20)23)32-9-7-31(8-10-32)13-18-6-11-35-15-18/h4-5,12,14,16-18,29H,6-11,13,15H2,1-3H3
InChIKeyYCJUNTKEAMNOKG-UHFFFAOYSA-N
XLogP3.56
TPSA83.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686226) is 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(N4CCN(CC5CCOC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YCJUNTKEAMNOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-17(2)23-24(19-12-21(34-3)26-27-16-28-33(26)14-19)29-20-4-5-22(30-25(20)23)32-9-7-31(8-10-32)13-18-6-11-35-15-18/h4-5,12,14,16-18,29H,6-11,13,15H2,1-3H3.
What are the key properties of 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 475.60 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).