N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide

C17H17ClN4O3S — CID 174297669

IUPACN-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide
SMILESCOc1cc(NS(=O)(=O)C2CC2)ccc1-n1nc(C)c2cnc(Cl)cc21
InChIInChI=1S/C17H17ClN4O3S/c1-10-13-9-19-17(18)8-15(13)22(20-10)14-6-3-11(7-16(14)25-2)21-26(23,24)12-4-5-12/h3,6-9,12,21H,4-5H2,1-2H3
InChIKeyQTAIFKURLBXFBT-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.30
Rot. Bonds5

About N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide

N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide (PubChem CID 174297669) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide
PubChem CID174297669
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC NameN-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide
SMILESCOc1cc(NS(=O)(=O)C2CC2)ccc1-n1nc(C)c2cnc(Cl)cc21
InChIInChI=1S/C17H17ClN4O3S/c1-10-13-9-19-17(18)8-15(13)22(20-10)14-6-3-11(7-16(14)25-2)21-26(23,24)12-4-5-12/h3,6-9,12,21H,4-5H2,1-2H3
InChIKeyQTAIFKURLBXFBT-UHFFFAOYSA-N
XLogP3.30
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-chloro-1-[4-(methanesulfonamido)-2-methoxyphenyl]pyrazolo[4,3-c]pyridine-3-carboxylate
CID 165125959
N-[4-[6-chloro-3-(2-piperidin-1-ylethylamino)pyrazolo[4,3-c]pyridin-1-yl]-3-methoxyphenyl]methanesulfonamide
CID 174297737
4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride
CID 64552204
4-[6-chloro-3-[3-(dimethylamino)propylamino]pyrazolo[4,3-c]pyridin-1-yl]-3-methoxy-N-methylbenzenesulfonamide
CID 174297762
N-(6-chloro-3-pyridinyl)cyclopropanesulfonamide
CID 103649273
N-[4-[[5-chloro-2-(3-chloro-4,5-dimethoxyanilino)pyrimidin-4-yl]amino]-3-methylphenyl]cyclopropanesulfonamide
CID 25073795
N-[4-[[2-(3,4-dimethoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3-methylphenyl]cyclopropanesulfonamide
CID 25073792
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide
CID 119101374
N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide
CID 139504774
6-chloro-3-methyl-1-(4-nitrophenyl)pyrazolo[4,3-c]pyridine
CID 174298070
N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide
CID 90114720
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide (CID 174297669) is N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide is COc1cc(NS(=O)(=O)C2CC2)ccc1-n1nc(C)c2cnc(Cl)cc21.
What is the InChIKey of N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide?
The InChIKey is QTAIFKURLBXFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-10-13-9-19-17(18)8-15(13)22(20-10)14-6-3-11(7-16(14)25-2)21-26(23,24)12-4-5-12/h3,6-9,12,21H,4-5H2,1-2H3.
What are the key properties of N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide?
N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide has a molecular weight of 392.87 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide is sourced from PubChem (CID 174297669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).