6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine

C26H27N7 — CID 145034052

IUPAC6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine
SMILESC=C/C(=C\C(=C/C)c1cc(Cc2nc3c(-c4ccncc4)nccc3[nH]2)c(N)cn1)N(C)C
InChIInChI=1S/C26H27N7/c1-5-17(13-20(6-2)33(3)4)23-14-19(21(27)16-30-23)15-24-31-22-9-12-29-25(26(22)32-24)18-7-10-28-11-8-18/h5-14,16H,2,15,27H2,1,3-4H3,(H,31,32)/b17-5+,20-13+
InChIKeyVRQLOONXEMFPRI-AFYIQYPGSA-N
MW437.55 g/mol
LogP4.62
Rot. Bonds7

About 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine

6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine (PubChem CID 145034052) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine
PubChem CID145034052
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine
SMILESC=C/C(=C\C(=C/C)c1cc(Cc2nc3c(-c4ccncc4)nccc3[nH]2)c(N)cn1)N(C)C
InChIInChI=1S/C26H27N7/c1-5-17(13-20(6-2)33(3)4)23-14-19(21(27)16-30-23)15-24-31-22-9-12-29-25(26(22)32-24)18-7-10-28-11-8-18/h5-14,16H,2,15,27H2,1,3-4H3,(H,31,32)/b17-5+,20-13+
InChIKeyVRQLOONXEMFPRI-AFYIQYPGSA-N
XLogP4.62
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine with MolForge

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Related Compounds

2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
CID 145033863
(3E,5E)-N-propan-2-yl-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145244776
6-pyridin-3-yl-4-[(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]pyridin-3-amine
CID 145034051
(3E,5E)-N-(3-cyclohexylprop-1-en-2-yl)-5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
CID 145034407
acetylene;6-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-fluoro-4-[[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]pyridin-3-amine
CID 145034036
2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-4-[(2E,4E)-5-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-yl]aniline
CID 145308611
(3E,5E)-N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
CID 145308080
acetylene;5-[(3E,5Z)-3-fluoro-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]hepta-1,3,5-trien-2-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145034000
3-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-N-methyl-5-[5-(propan-2-ylamino)-3-pyridinyl]pyridin-2-amine
CID 145038979
(4-methyl-1H-imidazo[4,5-c]pyridin-2-yl)methanol
CID 177021910
(3E,5E)-N,N-dimethyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine
CID 145248326
1-N,1-N-dimethyl-2-N-[(3E,5E)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]hepta-1,3,5-trien-3-yl]prop-2-ene-1,2-diamine
CID 145246163

Frequently Asked Questions

What is the IUPAC name of 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine (CID 145034052) is 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine is C=C/C(=C\C(=C/C)c1cc(Cc2nc3c(-c4ccncc4)nccc3[nH]2)c(N)cn1)N(C)C.
What is the InChIKey of 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine?
The InChIKey is VRQLOONXEMFPRI-AFYIQYPGSA-N. The full InChI is InChI=1S/C26H27N7/c1-5-17(13-20(6-2)33(3)4)23-14-19(21(27)16-30-23)15-24-31-22-9-12-29-25(26(22)32-24)18-7-10-28-11-8-18/h5-14,16H,2,15,27H2,1,3-4H3,(H,31,32)/b17-5+,20-13+.
What are the key properties of 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine?
6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine has a molecular weight of 437.55 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E,4E)-5-(dimethylamino)hepta-2,4,6-trien-3-yl]-4-[(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 145034052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).