8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide

C21H18ClF3N4O3 — CID 146425663

IUPAC8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide
SMILESNC(=O)C1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2Cc1ccc(C(F)F)cc1
InChIInChI=1S/C21H18ClF3N4O3/c22-14-5-15(23)19(27-8-14)28-10-16(30)29(9-11-1-3-12(4-2-11)17(24)25)21(20(28)32)6-13(7-21)18(26)31/h1-5,8,13,17H,6-7,9-10H2,(H2,26,31)
InChIKeyWRTRXUNZCGXKFY-UHFFFAOYSA-N
MW466.85 g/mol
LogP2.82
Rot. Bonds5

About 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide

8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 146425663) has the molecular formula C21H18ClF3N4O3 and a molecular weight of 466.85 g/mol. Its IUPAC name is 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID146425663
Molecular FormulaC21H18ClF3N4O3
Molecular Weight466.85 g/mol
Exact Mass466.10
IUPAC Name8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide
SMILESNC(=O)C1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2Cc1ccc(C(F)F)cc1
InChIInChI=1S/C21H18ClF3N4O3/c22-14-5-15(23)19(27-8-14)28-10-16(30)29(9-11-1-3-12(4-2-11)17(24)25)21(20(28)32)6-13(7-21)18(26)31/h1-5,8,13,17H,6-7,9-10H2,(H2,26,31)
InChIKeyWRTRXUNZCGXKFY-UHFFFAOYSA-N
XLogP2.82
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide (CID 146425663) is 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide is NC(=O)C1CC2(C1)C(=O)N(c1ncc(Cl)cc1F)CC(=O)N2Cc1ccc(C(F)F)cc1.
What is the InChIKey of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is WRTRXUNZCGXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O3/c22-14-5-15(23)19(27-8-14)28-10-16(30)29(9-11-1-3-12(4-2-11)17(24)25)21(20(28)32)6-13(7-21)18(26)31/h1-5,8,13,17H,6-7,9-10H2,(H2,26,31).
What are the key properties of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide?
8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 466.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(difluoromethyl)phenyl]methyl]-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 146425663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).