N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C30H29F3N8O4 — CID 175682734

IUPACN-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ncc(-c2noc(C3(F)CN(C(=O)C4CC4)C3)n2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12
InChIInChI=1S/C30H29F3N8O4/c1-16-21(6-18(8-34-16)23-37-27(45-38-23)29(33)14-40(15-29)25(43)17-2-3-17)36-24(42)20-9-35-41-5-4-19(7-22(20)41)39-12-28(13-39)10-30(44,11-28)26(31)32/h4-9,17,26,44H,2-3,10-15H2,1H3,(H,36,42)
InChIKeyYAPMGKNJUDLCDS-UHFFFAOYSA-N
MW622.61 g/mol
LogP3.35
Rot. Bonds7

About N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682734) has the molecular formula C30H29F3N8O4 and a molecular weight of 622.61 g/mol. Its IUPAC name is N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175682734
Molecular FormulaC30H29F3N8O4
Molecular Weight622.61 g/mol
Exact Mass622.23
IUPAC NameN-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ncc(-c2noc(C3(F)CN(C(=O)C4CC4)C3)n2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12
InChIInChI=1S/C30H29F3N8O4/c1-16-21(6-18(8-34-16)23-37-27(45-38-23)29(33)14-40(15-29)25(43)17-2-3-17)36-24(42)20-9-35-41-5-4-19(7-22(20)41)39-12-28(13-39)10-30(44,11-28)26(31)32/h4-9,17,26,44H,2-3,10-15H2,1H3,(H,36,42)
InChIKeyYAPMGKNJUDLCDS-UHFFFAOYSA-N
XLogP3.35
TPSA141.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.61
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682734) is N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(-c2noc(C3(F)CN(C(=O)C4CC4)C3)n2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12.
What is the InChIKey of N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YAPMGKNJUDLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N8O4/c1-16-21(6-18(8-34-16)23-37-27(45-38-23)29(33)14-40(15-29)25(43)17-2-3-17)36-24(42)20-9-35-41-5-4-19(7-22(20)41)39-12-28(13-39)10-30(44,11-28)26(31)32/h4-9,17,26,44H,2-3,10-15H2,1H3,(H,36,42).
What are the key properties of N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 622.61 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[1-(cyclopropanecarbonyl)-3-fluoroazetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).