[4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride

C25H35Cl2N5O — CID 69007934

IUPAC[4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C=CCN2CCOC(CN)C2)cc1.Cl.Cl
InChIInChI=1S/C25H33N5O.2ClH/c1-4-23-28-24-18(2)14-19(3)27-25(24)30(23)16-21-9-7-20(8-10-21)6-5-11-29-12-13-31-22(15-26)17-29;;/h5-10,14,22H,4,11-13,15-17,26H2,1-3H3;2*1H
InChIKeyAVAAQJSQEXVXEL-UHFFFAOYSA-N
MW492.50 g/mol
LogP4.18
Rot. Bonds7

About [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride

[4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride (PubChem CID 69007934) has the molecular formula C25H35Cl2N5O and a molecular weight of 492.50 g/mol. Its IUPAC name is [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride
PubChem CID69007934
Molecular FormulaC25H35Cl2N5O
Molecular Weight492.50 g/mol
Exact Mass491.22
IUPAC Name[4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C=CCN2CCOC(CN)C2)cc1.Cl.Cl
InChIInChI=1S/C25H33N5O.2ClH/c1-4-23-28-24-18(2)14-19(3)27-25(24)30(23)16-21-9-7-20(8-10-21)6-5-11-29-12-13-31-22(15-26)17-29;;/h5-10,14,22H,4,11-13,15-17,26H2,1-3H3;2*1H
InChIKeyAVAAQJSQEXVXEL-UHFFFAOYSA-N
XLogP4.18
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5,7-dimethyl-3-[[4-[3-[4-(3-methylbutyl)piperazin-1-yl]prop-1-enyl]phenyl]methyl]imidazo[4,5-b]pyridine;dihydrochloride
CID 69003217
2-ethyl-3-[[4-[3-(3-ethyl-4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 69005906
2-ethyl-5,7-dimethyl-3-[[4-[3-(4-pentan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 69004574
2-ethyl-3-[[4-[(E)-3-[4-(3-methoxypropyl)piperazin-1-yl]prop-1-enyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine;dihydrochloride
CID 69006337
2-ethyl-5,7-dimethyl-3-[[4-[3-[(1R,4R)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-enyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 69005191
3-[[4-[(E)-4-(4-tert-butylpiperazin-1-yl)but-1-enyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine;dihydrochloride
CID 69003198
3-[4-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-en-1-ol
CID 69005184
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
2-ethyl-3-[[4-[3-(3-iodo-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 89133847
2-ethyl-5,7-dimethyl-3-[[4-[3-(3-methyl-4-propan-2-ylpiperazin-1-yl)propyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 44516921
2-ethyl-5,7-dimethyl-3-[[4-[3-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]propyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 44517246
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride (CID 69007934) is [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C=CCN2CCOC(CN)C2)cc1.Cl.Cl.
What is the InChIKey of [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride?
The InChIKey is AVAAQJSQEXVXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O.2ClH/c1-4-23-28-24-18(2)14-19(3)27-25(24)30(23)16-21-9-7-20(8-10-21)6-5-11-29-12-13-31-22(15-26)17-29;;/h5-10,14,22H,4,11-13,15-17,26H2,1-3H3;2*1H.
What are the key properties of [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride?
[4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride has a molecular weight of 492.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]prop-2-enyl]morpholin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 69007934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).