8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide

C24H24F2N6O3 — CID 146268025

IUPAC8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC(F)(F)CC5)C4=O)nc3)ccn2)cn1
InChIInChI=1S/C24H24F2N6O3/c1-31-15-16(13-29-31)19-12-17(4-10-27-19)35-18-2-3-20(28-14-18)30-22(34)32-11-9-23(21(32)33)5-7-24(25,26)8-6-23/h2-4,10,12-15H,5-9,11H2,1H3,(H,28,30,34)
InChIKeyBCDAHFZFGKOCPG-UHFFFAOYSA-N
MW482.49 g/mol
LogP4.63
Rot. Bonds4

About 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide

8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 146268025) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID146268025
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC Name8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC(F)(F)CC5)C4=O)nc3)ccn2)cn1
InChIInChI=1S/C24H24F2N6O3/c1-31-15-16(13-29-31)19-12-17(4-10-27-19)35-18-2-3-20(28-14-18)30-22(34)32-11-9-23(21(32)33)5-7-24(25,26)8-6-23/h2-4,10,12-15H,5-9,11H2,1H3,(H,28,30,34)
InChIKeyBCDAHFZFGKOCPG-UHFFFAOYSA-N
XLogP4.63
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide (CID 146268025) is 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide is Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC(F)(F)CC5)C4=O)nc3)ccn2)cn1.
What is the InChIKey of 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is BCDAHFZFGKOCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c1-31-15-16(13-29-31)19-12-17(4-10-27-19)35-18-2-3-20(28-14-18)30-22(34)32-11-9-23(21(32)33)5-7-24(25,26)8-6-23/h2-4,10,12-15H,5-9,11H2,1H3,(H,28,30,34).
What are the key properties of 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide?
8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 146268025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).