2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine

C19H19N5 — CID 59640083

IUPAC2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nccc(-c3cc4cc(CN5CC5C)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C19H19N5/c1-11-9-24(11)10-13-3-4-16-14(7-13)8-17(23-16)15-5-6-20-19-18(15)21-12(2)22-19/h3-8,11,23H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyKYFBSOSQASZAJS-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.62
Rot. Bonds3

About 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine

2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 59640083) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID59640083
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nccc(-c3cc4cc(CN5CC5C)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C19H19N5/c1-11-9-24(11)10-13-3-4-16-14(7-13)8-17(23-16)15-5-6-20-19-18(15)21-12(2)22-19/h3-8,11,23H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyKYFBSOSQASZAJS-UHFFFAOYSA-N
XLogP3.62
TPSA60.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine (CID 59640083) is 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine is Cc1nc2nccc(-c3cc4cc(CN5CC5C)ccc4[nH]3)c2[nH]1.
What is the InChIKey of 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is KYFBSOSQASZAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-11-9-24(11)10-13-3-4-16-14(7-13)8-17(23-16)15-5-6-20-19-18(15)21-12(2)22-19/h3-8,11,23H,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine?
2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 317.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[5-[(2-methylaziridin-1-yl)methyl]-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 59640083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).