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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine

C30H36N8O — CID 138687070

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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N(C)Cc5cnc(C)cn5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C30H36N8O/c1-18(2)27-28(21-12-26(39-5)30-33-17-34-38(30)15-21)36-25-11-10-24(35-29(25)27)20-6-8-23(9-7-20)37(4)16-22-14-31-19(3)13-32-22/h10-15,17-18,20,23,36H,6-9,16H2,1-5H3
InChIKeyGQJWBKUGYRTZIA-UHFFFAOYSA-N
MW524.67 g/mol
LogP5.66
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-methyl-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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 138687070) has the molecular formula C30H36N8O and a molecular weight of 524.67 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-methyl-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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
PubChem CID138687070
Molecular FormulaC30H36N8O
Molecular Weight524.67 g/mol
Exact Mass524.30
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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N(C)Cc5cnc(C)cn5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C30H36N8O/c1-18(2)27-28(21-12-26(39-5)30-33-17-34-38(30)15-21)36-25-11-10-24(35-29(25)27)20-6-8-23(9-7-20)37(4)16-22-14-31-19(3)13-32-22/h10-15,17-18,20,23,36H,6-9,16H2,1-5H3
InChIKeyGQJWBKUGYRTZIA-UHFFFAOYSA-N
XLogP5.66
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 55.66
H-Bond Donors ≤ 51
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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine with MolForge

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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-methyl-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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine (CID 138687070) 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-methyl-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-methyl-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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine is COc1cc(-c2[nH]c3ccc(C4CCC(N(C)Cc5cnc(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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is GQJWBKUGYRTZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O/c1-18(2)27-28(21-12-26(39-5)30-33-17-34-38(30)15-21)36-25-11-10-24(35-29(25)27)20-6-8-23(9-7-20)37(4)16-22-14-31-19(3)13-32-22/h10-15,17-18,20,23,36H,6-9,16H2,1-5H3.
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-methyl-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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 524.67 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 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-methyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 138687070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).