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

C22H27N5O — CID 59640195

IUPAC1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine
SMILESCCC(COC)N(C)Cc1ccc2[nH]c(-c3ccnc4nc(C)[nH]c34)cc2c1
InChIInChI=1S/C22H27N5O/c1-5-17(13-28-4)27(3)12-15-6-7-19-16(10-15)11-20(26-19)18-8-9-23-22-21(18)24-14(2)25-22/h6-11,17,26H,5,12-13H2,1-4H3,(H,23,24,25)
InChIKeyXSAJNXJDUPQOQR-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.27
Rot. Bonds7

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

1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine (PubChem CID 59640195) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine
PubChem CID59640195
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine
SMILESCCC(COC)N(C)Cc1ccc2[nH]c(-c3ccnc4nc(C)[nH]c34)cc2c1
InChIInChI=1S/C22H27N5O/c1-5-17(13-28-4)27(3)12-15-6-7-19-16(10-15)11-20(26-19)18-8-9-23-22-21(18)24-14(2)25-22/h6-11,17,26H,5,12-13H2,1-4H3,(H,23,24,25)
InChIKeyXSAJNXJDUPQOQR-UHFFFAOYSA-N
XLogP4.27
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine (CID 59640195) is 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine is CCC(COC)N(C)Cc1ccc2[nH]c(-c3ccnc4nc(C)[nH]c34)cc2c1.
What is the InChIKey of 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine?
The InChIKey is XSAJNXJDUPQOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-17(13-28-4)27(3)12-15-6-7-19-16(10-15)11-20(26-19)18-8-9-23-22-21(18)24-14(2)25-22/h6-11,17,26H,5,12-13H2,1-4H3,(H,23,24,25).
What are the key properties of 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine?
1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine has a molecular weight of 377.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 59640195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).