N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C28H28FN5O3 — CID 118621372

IUPACN-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C28H28FN5O3/c1-17-25(18(2)34(32-17)22-5-3-21(29)4-6-22)27(36)33-11-8-28(9-12-33)14-20(28)15-31-26(35)23-13-19-7-10-30-16-24(19)37-23/h3-7,10,13,16,20H,8-9,11-12,14-15H2,1-2H3,(H,31,35)
InChIKeyWWBUZJWVMDALDJ-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.44
Rot. Bonds5

About N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 118621372) has the molecular formula C28H28FN5O3 and a molecular weight of 501.56 g/mol. Its IUPAC name is N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID118621372
Molecular FormulaC28H28FN5O3
Molecular Weight501.56 g/mol
Exact Mass501.22
IUPAC NameN-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
InChIInChI=1S/C28H28FN5O3/c1-17-25(18(2)34(32-17)22-5-3-21(29)4-6-22)27(36)33-11-8-28(9-12-33)14-20(28)15-31-26(35)23-13-19-7-10-30-16-24(19)37-23/h3-7,10,13,16,20H,8-9,11-12,14-15H2,1-2H3,(H,31,35)
InChIKeyWWBUZJWVMDALDJ-UHFFFAOYSA-N
XLogP4.44
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 118621372) is N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is WWBUZJWVMDALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O3/c1-17-25(18(2)34(32-17)22-5-3-21(29)4-6-22)27(36)33-11-8-28(9-12-33)14-20(28)15-31-26(35)23-13-19-7-10-30-16-24(19)37-23/h3-7,10,13,16,20H,8-9,11-12,14-15H2,1-2H3,(H,31,35).
What are the key properties of N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118621372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).