methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol

C22H29N5O — CID 161347892

IUPACmethane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol
SMILESC.Cc1nc2nccc(-c3cc4cc(CN[C@@H](CO)C(C)C)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C21H25N5O.CH4/c1-12(2)19(11-27)23-10-14-4-5-17-15(8-14)9-18(26-17)16-6-7-22-21-20(16)24-13(3)25-21;/h4-9,12,19,23,26-27H,10-11H2,1-3H3,(H,22,24,25);1H4/t19-;/m0./s1
InChIKeyVNNXUKZSSFOBJE-FYZYNONXSA-N
MW379.51 g/mol
LogP4.16
Rot. Bonds6

About methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol

methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol (PubChem CID 161347892) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Namemethane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol
PubChem CID161347892
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Namemethane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol
SMILESC.Cc1nc2nccc(-c3cc4cc(CN[C@@H](CO)C(C)C)ccc4[nH]3)c2[nH]1
InChIInChI=1S/C21H25N5O.CH4/c1-12(2)19(11-27)23-10-14-4-5-17-15(8-14)9-18(26-17)16-6-7-22-21-20(16)24-13(3)25-21;/h4-9,12,19,23,26-27H,10-11H2,1-3H3,(H,22,24,25);1H4/t19-;/m0./s1
InChIKeyVNNXUKZSSFOBJE-FYZYNONXSA-N
XLogP4.16
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol?
The IUPAC name of 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) is methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol.
What is the SMILES notation for methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol?
The canonical SMILES for methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol is C.Cc1nc2nccc(-c3cc4cc(CN[C@@H](CO)C(C)C)ccc4[nH]3)c2[nH]1.
What is the InChIKey of methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol?
The InChIKey is VNNXUKZSSFOBJE-FYZYNONXSA-N. The full InChI is InChI=1S/C21H25N5O.CH4/c1-12(2)19(11-27)23-10-14-4-5-17-15(8-14)9-18(26-17)16-6-7-22-21-20(16)24-13(3)25-21;/h4-9,12,19,23,26-27H,10-11H2,1-3H3,(H,22,24,25);1H4/t19-;/m0./s1.
What are the key properties of methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol?
methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol has a molecular weight of 379.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R)-3-methyl-2-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methylamino]butan-1-ol is sourced from PubChem (CID 161347892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).