N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C23H22FN7O3S — CID 164547501

IUPACN-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(F)C4)cnc3C)c2s1
InChIInChI=1S/C23H22FN7O3S/c1-13-18(6-15(7-26-13)28-20(32)12-30-9-14(24)10-30)29-21(33)17-8-27-31-11-19(35-23(17)31)16-4-3-5-25-22(16)34-2/h3-8,11,14H,9-10,12H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyUOOAFYRKKZCOSX-UHFFFAOYSA-N
MW495.54 g/mol
LogP3.01
Rot. Bonds7

About N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547501) has the molecular formula C23H22FN7O3S and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547501
Molecular FormulaC23H22FN7O3S
Molecular Weight495.54 g/mol
Exact Mass495.15
IUPAC NameN-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(F)C4)cnc3C)c2s1
InChIInChI=1S/C23H22FN7O3S/c1-13-18(6-15(7-26-13)28-20(32)12-30-9-14(24)10-30)29-21(33)17-8-27-31-11-19(35-23(17)31)16-4-3-5-25-22(16)34-2/h3-8,11,14H,9-10,12H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyUOOAFYRKKZCOSX-UHFFFAOYSA-N
XLogP3.01
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-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 N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547501) is N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(F)C4)cnc3C)c2s1.
What is the InChIKey of N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is UOOAFYRKKZCOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O3S/c1-13-18(6-15(7-26-13)28-20(32)12-30-9-14(24)10-30)29-21(33)17-8-27-31-11-19(35-23(17)31)16-4-3-5-25-22(16)34-2/h3-8,11,14H,9-10,12H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).