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

C20H22N6 — CID 59640086

IUPAC7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1nc2nc(N)cc(-c3cc4cc(CNC5CCC5)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C20H22N6/c1-11-23-19-15(9-18(21)26-20(19)24-11)17-8-13-7-12(5-6-16(13)25-17)10-22-14-3-2-4-14/h5-9,14,22,25H,2-4,10H2,1H3,(H3,21,23,24,26)
InChIKeyNVEMWNDNLNFYBG-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.64
Rot. Bonds4

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

7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 59640086) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID59640086
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCc1nc2nc(N)cc(-c3cc4cc(CNC5CCC5)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C20H22N6/c1-11-23-19-15(9-18(21)26-20(19)24-11)17-8-13-7-12(5-6-16(13)25-17)10-22-14-3-2-4-14/h5-9,14,22,25H,2-4,10H2,1H3,(H3,21,23,24,26)
InChIKeyNVEMWNDNLNFYBG-UHFFFAOYSA-N
XLogP3.64
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-3-ol
CID 59640241
1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one
CID 59640283
7-[6-[[cyclopentyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[7-[6-[[cyclopentyl(methyl)amino]methyl]-1H-indol-2-yl]-2-[[2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-6-yl]methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 142923698
4-[[2-[5-amino-2-[[7-[6-[[benzyl(methyl)amino]methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl-methylamino]cyclohexan-1-ol
CID 142923631
2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640170
methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol
CID 161347892
(2S)-2-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indole-5-carbonyl]amino]-3-(N-ethylanilino)propanoic acid
CID 59640216
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine
CID 82495000
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
N-[[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240414

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 59640086) is 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine is Cc1nc2nc(N)cc(-c3cc4cc(CNC5CCC5)ccc4[nH]3)c2[nH]1.
What is the InChIKey of 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is NVEMWNDNLNFYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-11-23-19-15(9-18(21)26-20(19)24-11)17-8-13-7-12(5-6-16(13)25-17)10-22-14-3-2-4-14/h5-9,14,22,25H,2-4,10H2,1H3,(H3,21,23,24,26).
What are the key properties of 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 346.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(cyclobutylamino)methyl]-1H-indol-2-yl]-2-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 59640086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).