5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene

C59H66N10 — CID 157078050

IUPAC5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene
SMILESCc1ccc2[nH]ccc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cnc2[nH]ccc2c1.Cc1cnccn1.Cc1ncccn1
InChIInChI=1S/C9H9N.C8H8N2.2C7H8.3C6H7N.2C5H6N2/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-4-7-2-3-9-8(7)10-5-6;2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5/h2-6,10H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;3*2-5H,1H3;2*2-4H,1H3
InChIKeyADFANXVVAVECTQ-UHFFFAOYSA-N
MW915.25 g/mol
LogP14.08
Rot. Bonds

About 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene

5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene (PubChem CID 157078050) has the molecular formula C59H66N10 and a molecular weight of 915.25 g/mol. Its IUPAC name is 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene.

Molecular Properties

Compound Name5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene
PubChem CID157078050
Molecular FormulaC59H66N10
Molecular Weight915.25 g/mol
Exact Mass914.55
IUPAC Name5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene
SMILESCc1ccc2[nH]ccc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cnc2[nH]ccc2c1.Cc1cnccn1.Cc1ncccn1
InChIInChI=1S/C9H9N.C8H8N2.2C7H8.3C6H7N.2C5H6N2/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-4-7-2-3-9-8(7)10-5-6;2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5/h2-6,10H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;3*2-5H,1H3;2*2-4H,1H3
InChIKeyADFANXVVAVECTQ-UHFFFAOYSA-N
XLogP14.08
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.25
LogP ≤ 514.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene?
The IUPAC name of 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene (CID 157078050) is 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene.
What is the SMILES notation for 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene?
The canonical SMILES for 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene is Cc1ccc2[nH]ccc2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cnc2[nH]ccc2c1.Cc1cnccn1.Cc1ncccn1.
What is the InChIKey of 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene?
The InChIKey is ADFANXVVAVECTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C8H8N2.2C7H8.3C6H7N.2C5H6N2/c1-7-2-3-9-8(6-7)4-5-10-9;1-6-4-7-2-3-9-8(7)10-5-6;2*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5/h2-6,10H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;3*2-5H,1H3;2*2-4H,1H3.
What are the key properties of 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene?
5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene has a molecular weight of 915.25 g/mol, XLogP of 14.08, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-indole;2-methylpyrazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-1H-pyrrolo[2,3-b]pyridine;toluene is sourced from PubChem (CID 157078050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).