6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide

C26H28F3N5O4 — CID 130249201

IUPAC6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCOc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)(F)F)n2c1
InChIInChI=1S/C26H28F3N5O4/c1-2-3-9-37-16-6-7-19-20(33-24(26(27,28)29)34(19)14-16)22(36)32-15-10-25(11-15)12-17(13-25)38-23-18(21(30)35)5-4-8-31-23/h4-8,14-15,17H,2-3,9-13H2,1H3,(H2,30,35)(H,32,36)
InChIKeyOWIRFRRZYITVEO-UHFFFAOYSA-N
MW531.54 g/mol
LogP4.15
Rot. Bonds9

About 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide

6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 130249201) has the molecular formula C26H28F3N5O4 and a molecular weight of 531.54 g/mol. Its IUPAC name is 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID130249201
Molecular FormulaC26H28F3N5O4
Molecular Weight531.54 g/mol
Exact Mass531.21
IUPAC Name6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCOc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)(F)F)n2c1
InChIInChI=1S/C26H28F3N5O4/c1-2-3-9-37-16-6-7-19-20(33-24(26(27,28)29)34(19)14-16)22(36)32-15-10-25(11-15)12-17(13-25)38-23-18(21(30)35)5-4-8-31-23/h4-8,14-15,17H,2-3,9-13H2,1H3,(H2,30,35)(H,32,36)
InChIKeyOWIRFRRZYITVEO-UHFFFAOYSA-N
XLogP4.15
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 130249201) is 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide is CCCCOc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)(F)F)n2c1.
What is the InChIKey of 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is OWIRFRRZYITVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O4/c1-2-3-9-37-16-6-7-19-20(33-24(26(27,28)29)34(19)14-16)22(36)32-15-10-25(11-15)12-17(13-25)38-23-18(21(30)35)5-4-8-31-23/h4-8,14-15,17H,2-3,9-13H2,1H3,(H2,30,35)(H,32,36).
What are the key properties of 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 130249201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).