1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine

C24H24N4O4S — CID 171345238

IUPAC1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)cc32)c1
InChIInChI=1S/C24H24N4O4S/c1-31-21-3-2-4-22(15-21)33(29,30)28-10-9-18-17-25-24(16-23(18)28)26-19-5-7-20(8-6-19)27-11-13-32-14-12-27/h2-10,15-17H,11-14H2,1H3,(H,25,26)
InChIKeyCRHSUNCSARELMU-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine

1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 171345238) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine
PubChem CID171345238
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)cc32)c1
InChIInChI=1S/C24H24N4O4S/c1-31-21-3-2-4-22(15-21)33(29,30)28-10-9-18-17-25-24(16-23(18)28)26-19-5-7-20(8-6-19)27-11-13-32-14-12-27/h2-10,15-17H,11-14H2,1H3,(H,25,26)
InChIKeyCRHSUNCSARELMU-UHFFFAOYSA-N
XLogP3.86
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine (CID 171345238) is 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine is COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)cc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is CRHSUNCSARELMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-31-21-3-2-4-22(15-21)33(29,30)28-10-9-18-17-25-24(16-23(18)28)26-19-5-7-20(8-6-19)27-11-13-32-14-12-27/h2-10,15-17H,11-14H2,1H3,(H,25,26).
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine?
1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 464.55 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 171345238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).