3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine

C21H25N5 — CID 59640356

IUPAC3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine
SMILESCc1nc2nccc(-c3cc4cc(CNCCC(C)C)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C21H25N5/c1-13(2)6-8-22-12-15-4-5-18-16(10-15)11-19(26-18)17-7-9-23-21-20(17)24-14(3)25-21/h4-5,7,9-11,13,22,26H,6,8,12H2,1-3H3,(H,23,24,25)
InChIKeyWAAJSKCNWCTTRC-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.55
Rot. Bonds6

About 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine

3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine (PubChem CID 59640356) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine
PubChem CID59640356
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine
SMILESCc1nc2nccc(-c3cc4cc(CNCCC(C)C)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C21H25N5/c1-13(2)6-8-22-12-15-4-5-18-16(10-15)11-19(26-18)17-7-9-23-21-20(17)24-14(3)25-21/h4-5,7,9-11,13,22,26H,6,8,12H2,1-3H3,(H,23,24,25)
InChIKeyWAAJSKCNWCTTRC-UHFFFAOYSA-N
XLogP4.55
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine (CID 59640356) is 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine is Cc1nc2nccc(-c3cc4cc(CNCCC(C)C)ccc4[nH]3)c2[nH]1.
What is the InChIKey of 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine?
The InChIKey is WAAJSKCNWCTTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-13(2)6-8-22-12-15-4-5-18-16(10-15)11-19(26-18)17-7-9-23-21-20(17)24-14(3)25-21/h4-5,7,9-11,13,22,26H,6,8,12H2,1-3H3,(H,23,24,25).
What are the key properties of 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine?
3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine has a molecular weight of 347.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 59640356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).