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

C24H25FN4O3 — CID 90012043

IUPACN-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1)c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O3/c1-28(19-4-2-18(25)3-5-19)23(31)29-10-7-24(8-11-29)13-17(24)14-27-22(30)20-12-16-6-9-26-15-21(16)32-20/h2-6,9,12,15,17H,7-8,10-11,13-14H2,1H3,(H,27,30)
InChIKeySXBPBTDZYISAGV-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.06
Rot. Bonds4

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

N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012043) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012043
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1)c1ccc(F)cc1
InChIInChI=1S/C24H25FN4O3/c1-28(19-4-2-18(25)3-5-19)23(31)29-10-7-24(8-11-29)13-17(24)14-27-22(30)20-12-16-6-9-26-15-21(16)32-20/h2-6,9,12,15,17H,7-8,10-11,13-14H2,1H3,(H,27,30)
InChIKeySXBPBTDZYISAGV-UHFFFAOYSA-N
XLogP4.06
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012043) is N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CN(C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1)c1ccc(F)cc1.
What is the InChIKey of N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SXBPBTDZYISAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-28(19-4-2-18(25)3-5-19)23(31)29-10-7-24(8-11-29)13-17(24)14-27-22(30)20-12-16-6-9-26-15-21(16)32-20/h2-6,9,12,15,17H,7-8,10-11,13-14H2,1H3,(H,27,30).
What are the key properties of N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-fluorophenyl)-methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).