4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide

C19H25ClN6O3S — CID 174297762

IUPAC4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2nc(NCCCN(C)C)c3cnc(Cl)cc32)c(OC)c1
InChIInChI=1S/C19H25ClN6O3S/c1-21-30(27,28)13-6-7-15(17(10-13)29-4)26-16-11-18(20)23-12-14(16)19(24-26)22-8-5-9-25(2)3/h6-7,10-12,21H,5,8-9H2,1-4H3,(H,22,24)
InChIKeyWVEUOUJFEOOFHN-UHFFFAOYSA-N
MW452.97 g/mol
LogP2.35
Rot. Bonds9

About 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide

4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide (PubChem CID 174297762) has the molecular formula C19H25ClN6O3S and a molecular weight of 452.97 g/mol. Its IUPAC name is 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide
PubChem CID174297762
Molecular FormulaC19H25ClN6O3S
Molecular Weight452.97 g/mol
Exact Mass452.14
IUPAC Name4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2nc(NCCCN(C)C)c3cnc(Cl)cc32)c(OC)c1
InChIInChI=1S/C19H25ClN6O3S/c1-21-30(27,28)13-6-7-15(17(10-13)29-4)26-16-11-18(20)23-12-14(16)19(24-26)22-8-5-9-25(2)3/h6-7,10-12,21H,5,8-9H2,1-4H3,(H,22,24)
InChIKeyWVEUOUJFEOOFHN-UHFFFAOYSA-N
XLogP2.35
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide
CID 174297737
tert-butyl N-[1-(4-amino-2-methoxyphenyl)-6-chloropyrazolo[4,3-c]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]carbamate
CID 165125866
4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
CID 43383354
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113010810
tert-butyl 7-[3-(2-aminoethoxycarbonylamino)-6-chloropyrazolo[4,3-c]pyridin-1-yl]-6-methoxy-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 171065254
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methoxybenzenesulfonamide
CID 28718145
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide (CID 174297762) is 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-n2nc(NCCCN(C)C)c3cnc(Cl)cc32)c(OC)c1.
What is the InChIKey of 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide?
The InChIKey is WVEUOUJFEOOFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O3S/c1-21-30(27,28)13-6-7-15(17(10-13)29-4)26-16-11-18(20)23-12-14(16)19(24-26)22-8-5-9-25(2)3/h6-7,10-12,21H,5,8-9H2,1-4H3,(H,22,24).
What are the key properties of 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide?
4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide has a molecular weight of 452.97 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 174297762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).