N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C24H22F3N3O4 — CID 90011888

IUPACN-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C24H22F3N3O4/c25-24(26,27)34-18-3-1-15(2-4-18)22(32)30-9-6-23(7-10-30)12-17(23)13-29-21(31)19-11-16-5-8-28-14-20(16)33-19/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,29,31)
InChIKeyUPLRIFJPKIBADU-UHFFFAOYSA-N
MW473.45 g/mol
LogP4.40
Rot. Bonds5

About N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90011888) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90011888
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC NameN-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C24H22F3N3O4/c25-24(26,27)34-18-3-1-15(2-4-18)22(32)30-9-6-23(7-10-30)12-17(23)13-29-21(31)19-11-16-5-8-28-14-20(16)33-19/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,29,31)
InChIKeyUPLRIFJPKIBADU-UHFFFAOYSA-N
XLogP4.40
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90011888) is N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UPLRIFJPKIBADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c25-24(26,27)34-18-3-1-15(2-4-18)22(32)30-9-6-23(7-10-30)12-17(23)13-29-21(31)19-11-16-5-8-28-14-20(16)33-19/h1-5,8,11,14,17H,6-7,9-10,12-13H2,(H,29,31).
What are the key properties of N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 473.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(trifluoromethoxy)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90011888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).