ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine

C34H54N4O3 — CID 143316086

IUPACethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine
SMILESCC.CC.CC(C)C.CCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.CN.COC=O
InChIInChI=1S/C23H23N3O.C4H10.C2H4O2.2C2H6.CH5N/c1-2-13-26-15-20(22-21(26)11-12-25-23(22)24)18-9-6-10-19(14-18)27-16-17-7-4-3-5-8-17;1-4(2)3;1-4-2-3;3*1-2/h3-12,14-15H,2,13,16H2,1H3,(H2,24,25);4H,1-3H3;2H,1H3;2*1-2H3;2H2,1H3
InChIKeyHQKXVLVLGIUVBV-UHFFFAOYSA-N
MW566.83 g/mol
LogP8.35
Rot. Bonds7

About ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine

ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine (PubChem CID 143316086) has the molecular formula C34H54N4O3 and a molecular weight of 566.83 g/mol. Its IUPAC name is ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Nameethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine
PubChem CID143316086
Molecular FormulaC34H54N4O3
Molecular Weight566.83 g/mol
Exact Mass566.42
IUPAC Nameethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine
SMILESCC.CC.CC(C)C.CCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.CN.COC=O
InChIInChI=1S/C23H23N3O.C4H10.C2H4O2.2C2H6.CH5N/c1-2-13-26-15-20(22-21(26)11-12-25-23(22)24)18-9-6-10-19(14-18)27-16-17-7-4-3-5-8-17;1-4(2)3;1-4-2-3;3*1-2/h3-12,14-15H,2,13,16H2,1H3,(H2,24,25);4H,1-3H3;2H,1H3;2*1-2H3;2H2,1H3
InChIKeyHQKXVLVLGIUVBV-UHFFFAOYSA-N
XLogP8.35
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.83
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
N',N'-diethyl-N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)propane-1,3-diamine
CID 183282
N'-(8-Methoxy-4,5-dimethyl-5H-pyrido(4,3-b) indol-1-yl)-N,N-dimethylpropanediamine
CID 183287
N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
CID 197233
3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-propionic acid
CID 9884317
3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 9923982
2-Methyl-3-{5-[3-(pyridin-2-ylamino)-propoxy]-indol-1-yl}-propionic acid
CID 10132765
3-(3-Dimethylaminomethyl-cyclobutyl)-1-(3-benzyloxyphenyl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 11604324
cis-3-(4-(Aminomethyl)cyclohexyl)-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-8-amine
CID 11750704
1-(3-Benzyloxy-phenyl)-3-cyclobutyl-imidazo[1,5-a]pyrazin-8-ylamine
CID 11773105
5-(3-Methoxyphenyl)-7-phenyl-4-aminopyrrolo[2,3-d]pyrimidine
CID 15858662
trans-1-(3-(Benzyloxy)phenyl)-3-(4-((diethylamino)methyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 44438929

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine (CID 143316086) is ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine is CC.CC.CC(C)C.CCCn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccc21.CN.COC=O.
What is the InChIKey of ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is HQKXVLVLGIUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.C4H10.C2H4O2.2C2H6.CH5N/c1-2-13-26-15-20(22-21(26)11-12-25-23(22)24)18-9-6-10-19(14-18)27-16-17-7-4-3-5-8-17;1-4(2)3;1-4-2-3;3*1-2/h3-12,14-15H,2,13,16H2,1H3,(H2,24,25);4H,1-3H3;2H,1H3;2*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine?
ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 566.83 g/mol, XLogP of 8.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;methyl formate;2-methylpropane;3-(3-phenylmethoxyphenyl)-1-propylpyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 143316086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).