N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide

C24H25FN4O3 — CID 139369125

IUPACN-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
SMILESCOc1ccc(F)cc1OC1CC(C(=O)NC2CC3(C2)CN(c2cc(C#N)ccn2)C3)C1
InChIInChI=1S/C24H25FN4O3/c1-31-20-3-2-17(25)9-21(20)32-19-7-16(8-19)23(30)28-18-10-24(11-18)13-29(14-24)22-6-15(12-26)4-5-27-22/h2-6,9,16,18-19H,7-8,10-11,13-14H2,1H3,(H,28,30)
InChIKeyGQGHHFQMIQMZCU-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide

N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide (PubChem CID 139369125) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
PubChem CID139369125
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
SMILESCOc1ccc(F)cc1OC1CC(C(=O)NC2CC3(C2)CN(c2cc(C#N)ccn2)C3)C1
InChIInChI=1S/C24H25FN4O3/c1-31-20-3-2-17(25)9-21(20)32-19-7-16(8-19)23(30)28-18-10-24(11-18)13-29(14-24)22-6-15(12-26)4-5-27-22/h2-6,9,16,18-19H,7-8,10-11,13-14H2,1H3,(H,28,30)
InChIKeyGQGHHFQMIQMZCU-UHFFFAOYSA-N
XLogP3.04
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide (CID 139369125) is N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide is COc1ccc(F)cc1OC1CC(C(=O)NC2CC3(C2)CN(c2cc(C#N)ccn2)C3)C1.
What is the InChIKey of N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide?
The InChIKey is GQGHHFQMIQMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-31-20-3-2-17(25)9-21(20)32-19-7-16(8-19)23(30)28-18-10-24(11-18)13-29(14-24)22-6-15(12-26)4-5-27-22/h2-6,9,16,18-19H,7-8,10-11,13-14H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide?
N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide is sourced from PubChem (CID 139369125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).