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

C22H29N5 — CID 159953415

IUPACmethane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine
SMILESC.CCCCN(C)Cc1ccc2[nH]c(-c3ccnc4nc(C)[nH]c34)cc2c1
InChIInChI=1S/C21H25N5.CH4/c1-4-5-10-26(3)13-15-6-7-18-16(11-15)12-19(25-18)17-8-9-22-21-20(17)23-14(2)24-21;/h6-9,11-12,25H,4-5,10,13H2,1-3H3,(H,22,23,24);1H4
InChIKeyOCKGSMKHOXQOIF-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.28
Rot. Bonds6

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

methane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine (PubChem CID 159953415) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is methane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound Namemethane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine
PubChem CID159953415
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Namemethane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine
SMILESC.CCCCN(C)Cc1ccc2[nH]c(-c3ccnc4nc(C)[nH]c34)cc2c1
InChIInChI=1S/C21H25N5.CH4/c1-4-5-10-26(3)13-15-6-7-18-16(11-15)12-19(25-18)17-8-9-22-21-20(17)23-14(2)24-21;/h6-9,11-12,25H,4-5,10,13H2,1-3H3,(H,22,23,24);1H4
InChIKeyOCKGSMKHOXQOIF-UHFFFAOYSA-N
XLogP5.28
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;N-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 methane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine (CID 159953415) is methane;N-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 methane;N-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 methane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine is C.CCCCN(C)Cc1ccc2[nH]c(-c3ccnc4nc(C)[nH]c34)cc2c1.
What is the InChIKey of methane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine?
The InChIKey is OCKGSMKHOXQOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5.CH4/c1-4-5-10-26(3)13-15-6-7-18-16(11-15)12-19(25-18)17-8-9-22-21-20(17)23-14(2)24-21;/h6-9,11-12,25H,4-5,10,13H2,1-3H3,(H,22,23,24);1H4.
What are the key properties of methane;N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]butan-1-amine?
methane;N-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 363.51 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-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 159953415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).