N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine

C21H25ClN4O3S — CID 71455483

IUPACN-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ncc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C21H25ClN4O3S/c1-14-13-26(19-12-23-21(22)11-17(14)19)30(27,28)16-4-5-20(29-3)18(10-16)24-15-6-8-25(2)9-7-15/h4-5,10-13,15,24H,6-9H2,1-3H3
InChIKeySQSQBLYTFZOXAG-UHFFFAOYSA-N
MW448.98 g/mol
LogP3.75
Rot. Bonds5

About N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine

N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine (PubChem CID 71455483) has the molecular formula C21H25ClN4O3S and a molecular weight of 448.98 g/mol. Its IUPAC name is N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
PubChem CID71455483
Molecular FormulaC21H25ClN4O3S
Molecular Weight448.98 g/mol
Exact Mass448.13
IUPAC NameN-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ncc32)cc1NC1CCN(C)CC1
InChIInChI=1S/C21H25ClN4O3S/c1-14-13-26(19-12-23-21(22)11-17(14)19)30(27,28)16-4-5-20(29-3)18(10-16)24-15-6-8-25(2)9-7-15/h4-5,10-13,15,24H,6-9H2,1-3H3
InChIKeySQSQBLYTFZOXAG-UHFFFAOYSA-N
XLogP3.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173771
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
5-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173790
5-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173792
US9663498, Example 31
CID 118181414
US9663498, Example 23
CID 118181441
US9663498, Example 25
CID 118181453
3-(difluoromethyl)-6-fluoro-1-((4-methoxy-3-(piperazin-1-yl) phenyl)sulfonyl)-1H-indole
CID 118181454
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181460
7-(4-Chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
CID 66757616
N-[5-(5-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 51002362

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine (CID 71455483) is N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine is COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ncc32)cc1NC1CCN(C)CC1.
What is the InChIKey of N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
The InChIKey is SQSQBLYTFZOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S/c1-14-13-26(19-12-23-21(22)11-17(14)19)30(27,28)16-4-5-20(29-3)18(10-16)24-15-6-8-25(2)9-7-15/h4-5,10-13,15,24H,6-9H2,1-3H3.
What are the key properties of N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine?
N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine has a molecular weight of 448.98 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-3-methylpyrrolo[2,3-c]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 71455483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).