2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

C29H39N5O2 — CID 162735755

IUPAC2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(C4CC5CCC(C4)N5C4CCN(C(C)C)CC4)cn3n2)cc1OC
InChIInChI=1S/C29H39N5O2/c1-19(2)32-13-11-23(12-14-32)34-24-7-8-25(34)16-22(15-24)21-6-10-28-30-29(31-33(28)18-21)20-5-9-26(35-3)27(17-20)36-4/h5-6,9-10,17-19,22-25H,7-8,11-16H2,1-4H3
InChIKeyRKOBEQXGPBPWIG-UHFFFAOYSA-N
MW489.66 g/mol
LogP5.00
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162735755) has the molecular formula C29H39N5O2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID162735755
Molecular FormulaC29H39N5O2
Molecular Weight489.66 g/mol
Exact Mass489.31
IUPAC Name2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(C4CC5CCC(C4)N5C4CCN(C(C)C)CC4)cn3n2)cc1OC
InChIInChI=1S/C29H39N5O2/c1-19(2)32-13-11-23(12-14-32)34-24-7-8-25(34)16-22(15-24)21-6-10-28-30-29(31-33(28)18-21)20-5-9-26(35-3)27(17-20)36-4/h5-6,9-10,17-19,22-25H,7-8,11-16H2,1-4H3
InChIKeyRKOBEQXGPBPWIG-UHFFFAOYSA-N
XLogP5.00
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

6-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 162735603
6-(3,4-dimethoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155964904
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide
CID 173226111
7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 145200029
6-(3,4-dimethoxyphenyl)-5-ethyl-3-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-7H-pyrrolo[2,3-c]pyridazine
CID 154641047
2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82566821
2-(3,4-dimethoxyphenyl)-6-[(2R)-2-(2-methylpropyl)-1-piperidin-4-ylpiperidin-4-yl]imidazo[1,2-a]pyridine
CID 162735567
2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525
2-(3,4-dimethoxyphenyl)-5-(1-piperidin-4-ylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134230324
2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117128935
5-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-propan-2-yloxyaniline
CID 83966904
2-[(2R)-4-(3,4-dimethoxyphenyl)-9-propan-2-yl-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol
CID 95113199

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 162735755) is 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(-c2nc3ccc(C4CC5CCC(C4)N5C4CCN(C(C)C)CC4)cn3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RKOBEQXGPBPWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O2/c1-19(2)32-13-11-23(12-14-32)34-24-7-8-25(34)16-22(15-24)21-6-10-28-30-29(31-33(28)18-21)20-5-9-26(35-3)27(17-20)36-4/h5-6,9-10,17-19,22-25H,7-8,11-16H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 489.66 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162735755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).