azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen

C28H35N7O — CID 145321753

IUPACazane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen
SMILESCOc1ccc2[nH]c(-c3cnc4[nH]cc(-c5ccnc(NCCc6ccccc6)n5)c4c3)cc2c1.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H24N6O.H3N.4H2/c1-35-21-7-8-24-19(13-21)15-26(33-24)20-14-22-23(17-32-27(22)31-16-20)25-10-12-30-28(34-25)29-11-9-18-5-3-2-4-6-18;;;;;/h2-8,10,12-17,33H,9,11H2,1H3,(H,31,32)(H,29,30,34);1H3;4*1H
InChIKeyVTQLPIIQBMVVSC-UHFFFAOYSA-N
MW485.64 g/mol
LogP6.98
Rot. Bonds7

About azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen

azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen (PubChem CID 145321753) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameazane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen
PubChem CID145321753
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Nameazane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen
SMILESCOc1ccc2[nH]c(-c3cnc4[nH]cc(-c5ccnc(NCCc6ccccc6)n5)c4c3)cc2c1.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H24N6O.H3N.4H2/c1-35-21-7-8-24-19(13-21)15-26(33-24)20-14-22-23(17-32-27(22)31-16-20)25-10-12-30-28(34-25)29-11-9-18-5-3-2-4-6-18;;;;;/h2-8,10,12-17,33H,9,11H2,1H3,(H,31,32)(H,29,30,34);1H3;4*1H
InChIKeyVTQLPIIQBMVVSC-UHFFFAOYSA-N
XLogP6.98
TPSA126.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.64
LogP ≤ 56.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen with MolForge

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Related Compounds

Retelliptine
CID 68913
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 24853793
Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137

Frequently Asked Questions

What is the IUPAC name of azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen?
The IUPAC name of azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen (CID 145321753) is azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen.
What is the SMILES notation for azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen?
The canonical SMILES for azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen is COc1ccc2[nH]c(-c3cnc4[nH]cc(-c5ccnc(NCCc6ccccc6)n5)c4c3)cc2c1.N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen?
The InChIKey is VTQLPIIQBMVVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O.H3N.4H2/c1-35-21-7-8-24-19(13-21)15-26(33-24)20-14-22-23(17-32-27(22)31-16-20)25-10-12-30-28(34-25)29-11-9-18-5-3-2-4-6-18;;;;;/h2-8,10,12-17,33H,9,11H2,1H3,(H,31,32)(H,29,30,34);1H3;4*1H.
What are the key properties of azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen?
azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen has a molecular weight of 485.64 g/mol, XLogP of 6.98, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-phenylethyl)pyrimidin-2-amine;molecular hydrogen is sourced from PubChem (CID 145321753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).