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

C21H23N5 — CID 59640170

IUPAC2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nccc(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C21H23N5/c1-14-23-20-17(7-8-22-21(20)24-14)19-12-16-11-15(5-6-18(16)25-19)13-26-9-3-2-4-10-26/h5-8,11-12,25H,2-4,9-10,13H2,1H3,(H,22,23,24)
InChIKeyONAYALGLDPDREM-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.40
Rot. Bonds3

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

2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 59640170) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID59640170
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nccc(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C21H23N5/c1-14-23-20-17(7-8-22-21(20)24-14)19-12-16-11-15(5-6-18(16)25-19)13-26-9-3-2-4-10-26/h5-8,11-12,25H,2-4,9-10,13H2,1H3,(H,22,23,24)
InChIKeyONAYALGLDPDREM-UHFFFAOYSA-N
XLogP4.40
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine (CID 59640170) is 2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine is Cc1nc2nccc(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)c2[nH]1.
What is the InChIKey of 2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ONAYALGLDPDREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-14-23-20-17(7-8-22-21(20)24-14)19-12-16-11-15(5-6-18(16)25-19)13-26-9-3-2-4-10-26/h5-8,11-12,25H,2-4,9-10,13H2,1H3,(H,22,23,24).
What are the key properties of 2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine?
2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 345.45 g/mol, XLogP of 4.40, 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-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 59640170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).