7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

About 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137413453) has the molecular formula C24H24BrF2N5O4 and a molecular weight of 564.39 g/mol. Its IUPAC name is 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name	7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID	137413453
Molecular Formula	C24H24BrF2N5O4
Molecular Weight	564.39 g/mol
Exact Mass	563.10
IUPAC Name	7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILES	CC(F)(F)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cnn2c1Br
InChI	InChI=1S/C24H24BrF2N5O4/c1-23(26,27)12-35-18-5-4-17-16(11-30-32(17)19(18)25)21(34)31-13-7-24(8-13)9-14(10-24)36-22-15(20(28)33)3-2-6-29-22/h2-6,11,13-14H,7-10,12H2,1H3,(H2,28,33)(H,31,34)
InChIKey	KRKXDZIKZJVHNI-UHFFFAOYSA-N
XLogP	3.74
TPSA	120.84 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.39
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 137413453) is 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(F)(F)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cnn2c1Br.

What is the InChIKey of 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is KRKXDZIKZJVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrF2N5O4/c1-23(26,27)12-35-18-5-4-17-16(11-30-32(17)19(18)25)21(34)31-13-7-24(8-13)9-14(10-24)36-22-15(20(28)33)3-2-6-29-22/h2-6,11,13-14H,7-10,12H2,1H3,(H2,28,33)(H,31,34).

What are the key properties of 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 564.39 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137413453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).