2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide

C19H25N5O5S — CID 130348185

IUPAC2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide
SMILESCOCCCNc1cc(-n2nc(C)c3c2CN(S(C)(=O)=O)CC3=O)ccc1C(N)=O
InChIInChI=1S/C19H25N5O5S/c1-12-18-16(10-23(11-17(18)25)30(3,27)28)24(22-12)13-5-6-14(19(20)26)15(9-13)21-7-4-8-29-2/h5-6,9,21H,4,7-8,10-11H2,1-3H3,(H2,20,26)
InChIKeyHIRUIZJNMTVKAS-UHFFFAOYSA-N
MW435.51 g/mol
LogP0.69
Rot. Bonds8

About 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide

2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide (PubChem CID 130348185) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide
PubChem CID130348185
Molecular FormulaC19H25N5O5S
Molecular Weight435.51 g/mol
Exact Mass435.16
IUPAC Name2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide
SMILESCOCCCNc1cc(-n2nc(C)c3c2CN(S(C)(=O)=O)CC3=O)ccc1C(N)=O
InChIInChI=1S/C19H25N5O5S/c1-12-18-16(10-23(11-17(18)25)30(3,27)28)24(22-12)13-5-6-14(19(20)26)15(9-13)21-7-4-8-29-2/h5-6,9,21H,4,7-8,10-11H2,1-3H3,(H2,20,26)
InChIKeyHIRUIZJNMTVKAS-UHFFFAOYSA-N
XLogP0.69
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide?
The IUPAC name of 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide (CID 130348185) is 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide?
The canonical SMILES for 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide is COCCCNc1cc(-n2nc(C)c3c2CN(S(C)(=O)=O)CC3=O)ccc1C(N)=O.
What is the InChIKey of 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide?
The InChIKey is HIRUIZJNMTVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S/c1-12-18-16(10-23(11-17(18)25)30(3,27)28)24(22-12)13-5-6-14(19(20)26)15(9-13)21-7-4-8-29-2/h5-6,9,21H,4,7-8,10-11H2,1-3H3,(H2,20,26).
What are the key properties of 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide?
2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide has a molecular weight of 435.51 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-4-(3-methyl-6-methylsulfonyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridin-1-yl)benzamide is sourced from PubChem (CID 130348185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).