2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine

C66H66N14 — CID 157374423

IUPAC2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCc1c[nH]c2ccccc12.Cc1c[nH]c2cccnc12.Cc1c[nH]c2ccncc12.Cc1c[nH]c2cnccc12.Cc1c[nH]c2ncccc12.Cc1cc2ccccc2[nH]1.Cc1cc2cnccc2[nH]1.Cc1cc2ncccc2[nH]1
InChIInChI=1S/2C9H9N.6C8H8N2/c1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-10-8-2-3-9-5-7(6)8;1-6-4-7-5-9-3-2-8(7)10-6;1-6-4-10-8-5-9-3-2-7(6)8;1-6-5-10-7-3-2-4-9-8(6)7;1-6-5-8-7(10-6)3-2-4-9-8;1-6-5-10-8-7(6)3-2-4-9-8/h2*2-6,10H,1H3;5*2-5,10H,1H3;2-5H,1H3,(H,9,10)
InChIKeyBKDNYSTXDWWAIN-UHFFFAOYSA-N
MW1055.35 g/mol
LogP16.18
Rot. Bonds

About 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine

2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 157374423) has the molecular formula C66H66N14 and a molecular weight of 1055.35 g/mol. Its IUPAC name is 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID157374423
Molecular FormulaC66H66N14
Molecular Weight1055.35 g/mol
Exact Mass1054.56
IUPAC Name2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCc1c[nH]c2ccccc12.Cc1c[nH]c2cccnc12.Cc1c[nH]c2ccncc12.Cc1c[nH]c2cnccc12.Cc1c[nH]c2ncccc12.Cc1cc2ccccc2[nH]1.Cc1cc2cnccc2[nH]1.Cc1cc2ncccc2[nH]1
InChIInChI=1S/2C9H9N.6C8H8N2/c1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-10-8-2-3-9-5-7(6)8;1-6-4-7-5-9-3-2-8(7)10-6;1-6-4-10-8-5-9-3-2-7(6)8;1-6-5-10-7-3-2-4-9-8(6)7;1-6-5-8-7(10-6)3-2-4-9-8;1-6-5-10-8-7(6)3-2-4-9-8/h2*2-6,10H,1H3;5*2-5,10H,1H3;2-5H,1H3,(H,9,10)
InChIKeyBKDNYSTXDWWAIN-UHFFFAOYSA-N
XLogP16.18
TPSA203.66 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001055.35
LogP ≤ 516.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine (CID 157374423) is 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine is Cc1c[nH]c2ccccc12.Cc1c[nH]c2cccnc12.Cc1c[nH]c2ccncc12.Cc1c[nH]c2cnccc12.Cc1c[nH]c2ncccc12.Cc1cc2ccccc2[nH]1.Cc1cc2cnccc2[nH]1.Cc1cc2ncccc2[nH]1.
What is the InChIKey of 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is BKDNYSTXDWWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9N.6C8H8N2/c1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-10-8-2-3-9-5-7(6)8;1-6-4-7-5-9-3-2-8(7)10-6;1-6-4-10-8-5-9-3-2-7(6)8;1-6-5-10-7-3-2-4-9-8(6)7;1-6-5-8-7(10-6)3-2-4-9-8;1-6-5-10-8-7(6)3-2-4-9-8/h2*2-6,10H,1H3;5*2-5,10H,1H3;2-5H,1H3,(H,9,10).
What are the key properties of 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine?
2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 1055.35 g/mol, XLogP of 16.18, 0 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 157374423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).