4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine

C29H34N8O — CID 138686244

IUPAC4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(NCc5cnc(C)cn5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C29H34N8O/c1-17(2)26-27(20-11-25(38-4)29-33-16-34-37(29)15-20)36-24-10-9-23(35-28(24)26)19-5-7-21(8-6-19)32-14-22-13-30-18(3)12-31-22/h9-13,15-17,19,21,32,36H,5-8,14H2,1-4H3
InChIKeyHUVJLKJWJBPXLT-UHFFFAOYSA-N
MW510.65 g/mol
LogP5.32
Rot. Bonds7

About 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine

4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 138686244) has the molecular formula C29H34N8O and a molecular weight of 510.65 g/mol. Its IUPAC name is 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
PubChem CID138686244
Molecular FormulaC29H34N8O
Molecular Weight510.65 g/mol
Exact Mass510.29
IUPAC Name4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(NCc5cnc(C)cn5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C29H34N8O/c1-17(2)26-27(20-11-25(38-4)29-33-16-34-37(29)15-20)36-24-10-9-23(35-28(24)26)19-5-7-21(8-6-19)32-14-22-13-30-18(3)12-31-22/h9-13,15-17,19,21,32,36H,5-8,14H2,1-4H3
InChIKeyHUVJLKJWJBPXLT-UHFFFAOYSA-N
XLogP5.32
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.65
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine 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 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine (CID 138686244) is 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine is COc1cc(-c2[nH]c3ccc(C4CCC(NCc5cnc(C)cn5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is HUVJLKJWJBPXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O/c1-17(2)26-27(20-11-25(38-4)29-33-16-34-37(29)15-20)36-24-10-9-23(35-28(24)26)19-5-7-21(8-6-19)32-14-22-13-30-18(3)12-31-22/h9-13,15-17,19,21,32,36H,5-8,14H2,1-4H3.
What are the key properties of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 510.65 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 138686244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).