6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C19H28FN5O4S — CID 175946010

IUPAC6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)CN3CC(F)C3)CC1)CC2
InChIInChI=1S/C19H28FN5O4S/c1-18(2,10-24-8-12(20)9-24)30(28,29)19(5-6-19)11-25-7-4-13-14(16(21)26)22-23(3)15(13)17(25)27/h12H,4-11H2,1-3H3,(H2,21,26)
InChIKeyZVEZHBQMYSSVRU-UHFFFAOYSA-N
MW441.53 g/mol
LogP-0.10
Rot. Bonds7

About 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 175946010) has the molecular formula C19H28FN5O4S and a molecular weight of 441.53 g/mol. Its IUPAC name is 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID175946010
Molecular FormulaC19H28FN5O4S
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)CN3CC(F)C3)CC1)CC2
InChIInChI=1S/C19H28FN5O4S/c1-18(2,10-24-8-12(20)9-24)30(28,29)19(5-6-19)11-25-7-4-13-14(16(21)26)22-23(3)15(13)17(25)27/h12H,4-11H2,1-3H3,(H2,21,26)
InChIKeyZVEZHBQMYSSVRU-UHFFFAOYSA-N
XLogP-0.10
TPSA118.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 175946010) is 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cn1nc(C(N)=O)c2c1C(=O)N(CC1(S(=O)(=O)C(C)(C)CN3CC(F)C3)CC1)CC2.
What is the InChIKey of 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ZVEZHBQMYSSVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O4S/c1-18(2,10-24-8-12(20)9-24)30(28,29)19(5-6-19)11-25-7-4-13-14(16(21)26)22-23(3)15(13)17(25)27/h12H,4-11H2,1-3H3,(H2,21,26).
What are the key properties of 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[1-(3-fluoroazetidin-1-yl)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 175946010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).