2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine

C21H23N5 — CID 142594625

IUPAC2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C)c2[nH]1
InChIInChI=1S/C21H23N5/c1-12-17-11-15(14-5-8-22-9-6-14)3-4-18(17)26-19(12)16-7-10-23-21-20(16)24-13(2)25-21/h3-4,7,10-11,14,22,26H,5-6,8-9H2,1-2H3,(H,23,24,25)
InChIKeyFVQZQPATJQYQGN-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.19
Rot. Bonds2

About 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine

2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 142594625) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID142594625
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C)c2[nH]1
InChIInChI=1S/C21H23N5/c1-12-17-11-15(14-5-8-22-9-6-14)3-4-18(17)26-19(12)16-7-10-23-21-20(16)24-13(2)25-21/h3-4,7,10-11,14,22,26H,5-6,8-9H2,1-2H3,(H,23,24,25)
InChIKeyFVQZQPATJQYQGN-UHFFFAOYSA-N
XLogP4.19
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine (CID 142594625) is 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine is Cc1nc2nccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C)c2[nH]1.
What is the InChIKey of 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is FVQZQPATJQYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-12-17-11-15(14-5-8-22-9-6-14)3-4-18(17)26-19(12)16-7-10-23-21-20(16)24-13(2)25-21/h3-4,7,10-11,14,22,26H,5-6,8-9H2,1-2H3,(H,23,24,25).
What are the key properties of 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine?
2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 345.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 142594625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).