1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane

C43H45N7O2 — CID 158750294

IUPAC1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane
SMILESC.CCC(=O)c1ccc(-c2cnc(N)c(-c3ccc(O)cc3)c2CC)cn1.CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(C)cc1
InChIInChI=1S/C21H20N4.C21H21N3O2.CH4/c1-3-17-18(15-8-9-19-16(10-15)11-24-25-19)12-23-21(22)20(17)14-6-4-13(2)5-7-14;1-3-16-17(14-7-10-18(23-11-14)19(26)4-2)12-24-21(22)20(16)13-5-8-15(25)9-6-13;/h4-12H,3H2,1-2H3,(H2,22,23)(H,24,25);5-12,25H,3-4H2,1-2H3,(H2,22,24);1H4
InChIKeyINJVTVRSHQLDFB-UHFFFAOYSA-N
MW691.88 g/mol
LogP9.63
Rot. Bonds8

About 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane

1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane (PubChem CID 158750294) has the molecular formula C43H45N7O2 and a molecular weight of 691.88 g/mol. Its IUPAC name is 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane.

Molecular Properties

Compound Name1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane
PubChem CID158750294
Molecular FormulaC43H45N7O2
Molecular Weight691.88 g/mol
Exact Mass691.36
IUPAC Name1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane
SMILESC.CCC(=O)c1ccc(-c2cnc(N)c(-c3ccc(O)cc3)c2CC)cn1.CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(C)cc1
InChIInChI=1S/C21H20N4.C21H21N3O2.CH4/c1-3-17-18(15-8-9-19-16(10-15)11-24-25-19)12-23-21(22)20(17)14-6-4-13(2)5-7-14;1-3-16-17(14-7-10-18(23-11-14)19(26)4-2)12-24-21(22)20(16)13-5-8-15(25)9-6-13;/h4-12H,3H2,1-2H3,(H2,22,23)(H,24,25);5-12,25H,3-4H2,1-2H3,(H2,22,24);1H4
InChIKeyINJVTVRSHQLDFB-UHFFFAOYSA-N
XLogP9.63
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.88
LogP ≤ 59.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane with MolForge

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Related Compounds

4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl)phenol
CID 122531786
4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531747
4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol
CID 122531784
3-[[4-Amino-3-(3-hydroxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 58009013
4-[6-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridyl]phenol
CID 122531768
4-[6-amino-4-ethyl-5-(3-methyl-1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531783
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 59023904
(2S)-1-[5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazol-7-yl]-2-ethyl-4-(4-hydroxyphenyl)butan-1-one
CID 71164320
5-(5-amino-1-methylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 71164382
3-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 136346572
4-cyclohexyl-N-(4-methylphenyl)benzamide;4-(4-hydroxyphenyl)-N-(4-methylphenyl)benzamide;3-methyl-N-(4-methylphenyl)but-2-enamide;N-(4-methylphenyl)-1H-indazole-5-carboxamide;N-(4-methylphenyl)naphthalene-1-carboxamide;N-(4-methylphenyl)-2-phenylacetamide;N-(5-methyl-2-pyridinyl)-4-phenylbenzamide;trans-(1R,2R)-N-(5-methyl-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 158924776
1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine
CID 165052615

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane?
The IUPAC name of 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane (CID 158750294) is 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane.
What is the SMILES notation for 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane?
The canonical SMILES for 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane is C.CCC(=O)c1ccc(-c2cnc(N)c(-c3ccc(O)cc3)c2CC)cn1.CCc1c(-c2ccc3[nH]ncc3c2)cnc(N)c1-c1ccc(C)cc1.
What is the InChIKey of 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane?
The InChIKey is INJVTVRSHQLDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4.C21H21N3O2.CH4/c1-3-17-18(15-8-9-19-16(10-15)11-24-25-19)12-23-21(22)20(17)14-6-4-13(2)5-7-14;1-3-16-17(14-7-10-18(23-11-14)19(26)4-2)12-24-21(22)20(16)13-5-8-15(25)9-6-13;/h4-12H,3H2,1-2H3,(H2,22,23)(H,24,25);5-12,25H,3-4H2,1-2H3,(H2,22,24);1H4.
What are the key properties of 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane?
1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane has a molecular weight of 691.88 g/mol, XLogP of 9.63, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;4-ethyl-5-(1H-indazol-5-yl)-3-(4-methylphenyl)pyridin-2-amine;methane is sourced from PubChem (CID 158750294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).