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

C26H29F2N5O4 — CID 130249283

IUPAC6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCOc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)F)n2c1
InChIInChI=1S/C26H29F2N5O4/c1-2-3-9-36-16-6-7-19-20(32-23(21(27)28)33(19)14-16)24(35)31-15-10-26(11-15)12-17(13-26)37-25-18(22(29)34)5-4-8-30-25/h4-8,14-15,17,21H,2-3,9-13H2,1H3,(H2,29,34)(H,31,35)
InChIKeyBBOWJBSTHOFJKL-UHFFFAOYSA-N
MW513.55 g/mol
LogP4.06
Rot. Bonds10

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

6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 130249283) has the molecular formula C26H29F2N5O4 and a molecular weight of 513.55 g/mol. Its IUPAC name is 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)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-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID130249283
Molecular FormulaC26H29F2N5O4
Molecular Weight513.55 g/mol
Exact Mass513.22
IUPAC Name6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCOc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)F)n2c1
InChIInChI=1S/C26H29F2N5O4/c1-2-3-9-36-16-6-7-19-20(32-23(21(27)28)33(19)14-16)24(35)31-15-10-26(11-15)12-17(13-26)37-25-18(22(29)34)5-4-8-30-25/h4-8,14-15,17,21H,2-3,9-13H2,1H3,(H2,29,34)(H,31,35)
InChIKeyBBOWJBSTHOFJKL-UHFFFAOYSA-N
XLogP4.06
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 54.06
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-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide with MolForge

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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-(difluoromethyl)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-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 130249283) is 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)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-(difluoromethyl)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-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide is CCCCOc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)nc(C(F)F)n2c1.
What is the InChIKey of 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BBOWJBSTHOFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O4/c1-2-3-9-36-16-6-7-19-20(32-23(21(27)28)33(19)14-16)24(35)31-15-10-26(11-15)12-17(13-26)37-25-18(22(29)34)5-4-8-30-25/h4-8,14-15,17,21H,2-3,9-13H2,1H3,(H2,29,34)(H,31,35).
What are the key properties of 6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide?
6-butoxy-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-3-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 513.55 g/mol, XLogP of 4.06, 10 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-(difluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 130249283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).