N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline

C19H23N5O2S — CID 25192744

IUPACN,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline
SMILESCN(C)c1cccc(S(=O)(=O)n2cc(N3CCNCC3)c3ncccc32)c1
InChIInChI=1S/C19H23N5O2S/c1-22(2)15-5-3-6-16(13-15)27(25,26)24-14-18(23-11-9-20-10-12-23)19-17(24)7-4-8-21-19/h3-8,13-14,20H,9-12H2,1-2H3
InChIKeyHVXCRLCEDCKHTL-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.75
Rot. Bonds4

About N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline

N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline (PubChem CID 25192744) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline
PubChem CID25192744
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline
SMILESCN(C)c1cccc(S(=O)(=O)n2cc(N3CCNCC3)c3ncccc32)c1
InChIInChI=1S/C19H23N5O2S/c1-22(2)15-5-3-6-16(13-15)27(25,26)24-14-18(23-11-9-20-10-12-23)19-17(24)7-4-8-21-19/h3-8,13-14,20H,9-12H2,1-2H3
InChIKeyHVXCRLCEDCKHTL-UHFFFAOYSA-N
XLogP1.75
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]pyrrolidin-3-ol
CID 25192878
7-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one
CID 25192610
formaldehyde;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline
CID 143765626
6-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-1H-quinolin-2-one
CID 25192612
formic acid;3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylquinoline
CID 161021724
5-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 25193015
1-(2-fluoro-5-methylphenyl)sulfonyl-3-piperazin-1-ylpyrrolo[3,2-b]pyridine;formic acid
CID 160950406
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]piperidin-4-amine
CID 46186703
formic acid;2-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile
CID 158156251
3-chloro-4-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylbenzonitrile;formic acid
CID 157205200
1-[3-(difluoromethoxy)phenyl]sulfonyl-3-[(3S)-3-ethylpiperazin-1-yl]pyrrolo[3,2-b]pyridine;formic acid
CID 159220843
formic acid;7-methoxy-3-piperazin-1-yl-1-pyridin-3-ylsulfonylpyrrolo[3,2-b]pyridine
CID 159173181

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline?
The IUPAC name of N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline (CID 25192744) is N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline.
What is the SMILES notation for N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline?
The canonical SMILES for N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline is CN(C)c1cccc(S(=O)(=O)n2cc(N3CCNCC3)c3ncccc32)c1.
What is the InChIKey of N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline?
The InChIKey is HVXCRLCEDCKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-22(2)15-5-3-6-16(13-15)27(25,26)24-14-18(23-11-9-20-10-12-23)19-17(24)7-4-8-21-19/h3-8,13-14,20H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline?
N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline has a molecular weight of 385.49 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylaniline is sourced from PubChem (CID 25192744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).