ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine

C26H30N6 — CID 144559083

IUPACethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine
SMILESCC.Cc1cc2cc[nH]c2cn1.Cc1ccc2[nH]ccc2n1.Cc1cnc2cc[nH]c2c1
InChIInChI=1S/3C8H8N2.C2H6/c1-6-4-7-2-3-9-8(7)5-10-6;1-6-4-8-7(10-5-6)2-3-9-8;1-6-2-3-7-8(10-6)4-5-9-7;1-2/h3*2-5,9H,1H3;1-2H3
InChIKeyPDILZPVQIPVJEW-UHFFFAOYSA-N
MW426.57 g/mol
LogP6.64
Rot. Bonds

About ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine

ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 144559083) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Nameethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID144559083
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Nameethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine
SMILESCC.Cc1cc2cc[nH]c2cn1.Cc1ccc2[nH]ccc2n1.Cc1cnc2cc[nH]c2c1
InChIInChI=1S/3C8H8N2.C2H6/c1-6-4-7-2-3-9-8(7)5-10-6;1-6-4-8-7(10-5-6)2-3-9-8;1-6-2-3-7-8(10-6)4-5-9-7;1-2/h3*2-5,9H,1H3;1-2H3
InChIKeyPDILZPVQIPVJEW-UHFFFAOYSA-N
XLogP6.64
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
CID 142447462
2,7-dimethyl-1,5-naphthyridine
CID 118411507
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CID 160987089
CID 143215043
CID 143215043
5-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53399661
hydron;6-methyl-1H-indole
CID 174894355
1H-pyrrolo[2,3-c]pyridin-5-amine;dihydrochloride
CID 67382254
5-(1,3-dioxolan-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 14644282
1H-pyrrolo[2,3-c]pyridin-5-ylmethanamine
CID 15521900
1-(1H-indol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 102910805
5-ethyl-2-methylpyridin-4-amine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 67730276
1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde;hydrochloride
CID 87581993

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine (CID 144559083) is ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine is CC.Cc1cc2cc[nH]c2cn1.Cc1ccc2[nH]ccc2n1.Cc1cnc2cc[nH]c2c1.
What is the InChIKey of ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is PDILZPVQIPVJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8N2.C2H6/c1-6-4-7-2-3-9-8(7)5-10-6;1-6-4-8-7(10-5-6)2-3-9-8;1-6-2-3-7-8(10-6)4-5-9-7;1-2/h3*2-5,9H,1H3;1-2H3.
What are the key properties of ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine?
ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 426.57 g/mol, XLogP of 6.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 144559083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).