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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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).