N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H27F3N6O2 — CID 118173208

IUPACN-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CCC2(CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)C1
InChIInChI=1S/C25H27F3N6O2/c1-32-10-7-24(16-32)8-11-33(12-9-24)22(35)15-34-14-17-13-18(5-6-19(17)31-34)29-23(36)20-3-2-4-21(30-20)25(26,27)28/h2-6,13-14H,7-12,15-16H2,1H3,(H,29,36)
InChIKeyBLCZOTPHMIZDDT-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.65
Rot. Bonds4

About N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173208) has the molecular formula C25H27F3N6O2 and a molecular weight of 500.53 g/mol. Its IUPAC name is N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173208
Molecular FormulaC25H27F3N6O2
Molecular Weight500.53 g/mol
Exact Mass500.21
IUPAC NameN-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CCC2(CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)C1
InChIInChI=1S/C25H27F3N6O2/c1-32-10-7-24(16-32)8-11-33(12-9-24)22(35)15-34-14-17-13-18(5-6-19(17)31-34)29-23(36)20-3-2-4-21(30-20)25(26,27)28/h2-6,13-14H,7-12,15-16H2,1H3,(H,29,36)
InChIKeyBLCZOTPHMIZDDT-UHFFFAOYSA-N
XLogP3.65
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173208) is N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN1CCC2(CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)C1.
What is the InChIKey of N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BLCZOTPHMIZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O2/c1-32-10-7-24(16-32)8-11-33(12-9-24)22(35)15-34-14-17-13-18(5-6-19(17)31-34)29-23(36)20-3-2-4-21(30-20)25(26,27)28/h2-6,13-14H,7-12,15-16H2,1H3,(H,29,36).
What are the key properties of N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).