N-[5-[5-(3,3-difluorocyclobutyl)-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

C27H25F4N7O3 — CID 175682701

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-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(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12
InChIInChI=1S/C27H25F4N7O3/c1-14-19(4-15(8-32-14)21-35-23(41-36-21)16-6-27(30,31)7-16)34-22(39)18-9-33-38-3-2-17(5-20(18)38)37-12-25(13-37)10-26(40,11-25)24(28)29/h2-5,8-9,16,24,40H,6-7,10-13H2,1H3,(H,34,39)
InChIKeyPVDIOXLESGQEND-UHFFFAOYSA-N
MW571.54 g/mol
LogP4.45
Rot. Bonds6

About N-[5-[5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 175682701) has the molecular formula C27H25F4N7O3 and a molecular weight of 571.54 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 CID175682701
Molecular FormulaC27H25F4N7O3
Molecular Weight571.54 g/mol
Exact Mass571.20
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-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(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12
InChIInChI=1S/C27H25F4N7O3/c1-14-19(4-15(8-32-14)21-35-23(41-36-21)16-6-27(30,31)7-16)34-22(39)18-9-33-38-3-2-17(5-20(18)38)37-12-25(13-37)10-26(40,11-25)24(28)29/h2-5,8-9,16,24,40H,6-7,10-13H2,1H3,(H,34,39)
InChIKeyPVDIOXLESGQEND-UHFFFAOYSA-N
XLogP4.45
TPSA121.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[5-(3,3-difluorocyclobutyl)-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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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 175682701) is N-[5-[5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnn2ccc(N3CC4(C3)CC(O)(C(F)F)C4)cc12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-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 PVDIOXLESGQEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N7O3/c1-14-19(4-15(8-32-14)21-35-23(41-36-21)16-6-27(30,31)7-16)34-22(39)18-9-33-38-3-2-17(5-20(18)38)37-12-25(13-37)10-26(40,11-25)24(28)29/h2-5,8-9,16,24,40H,6-7,10-13H2,1H3,(H,34,39).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 571.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,3-difluorocyclobutyl)-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 175682701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).