N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

C20H21ClFN5O3S — CID 85471653

IUPACN-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCN1CC2(C1)C(N)=N[C@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)ccc1F)CS2(=O)=O
InChIInChI=1S/C20H21ClFN5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1
InChIKeyJOSATGAYPZWFMY-IBGZPJMESA-N
MW465.94 g/mol
LogP1.81
Rot. Bonds3

About N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide

N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (PubChem CID 85471653) has the molecular formula C20H21ClFN5O3S and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
PubChem CID85471653
Molecular FormulaC20H21ClFN5O3S
Molecular Weight465.94 g/mol
Exact Mass465.10
IUPAC NameN-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCN1CC2(C1)C(N)=N[C@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)ccc1F)CS2(=O)=O
InChIInChI=1S/C20H21ClFN5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1
InChIKeyJOSATGAYPZWFMY-IBGZPJMESA-N
XLogP1.81
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide (CID 85471653) is N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is CN1CC2(C1)C(N)=N[C@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)ccc1F)CS2(=O)=O.
What is the InChIKey of N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is JOSATGAYPZWFMY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21ClFN5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1.
What are the key properties of N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 85471653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).