5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide

C23H26F2N4O2 — CID 118104850

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide
SMILESFc1ccc(F)c(C2CCCN2c2ccn3nccc3c2CC2CCCO2)c1.NC=O
InChIInChI=1S/C22H23F2N3O.CH3NO/c23-15-5-6-19(24)17(13-15)20-4-1-10-26(20)21-8-11-27-22(7-9-25-27)18(21)14-16-3-2-12-28-16;2-1-3/h5-9,11,13,16,20H,1-4,10,12,14H2;1H,(H2,2,3)
InChIKeyDDXFTIXUZJTXIP-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.78
Rot. Bonds4

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide (PubChem CID 118104850) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide
PubChem CID118104850
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide
SMILESFc1ccc(F)c(C2CCCN2c2ccn3nccc3c2CC2CCCO2)c1.NC=O
InChIInChI=1S/C22H23F2N3O.CH3NO/c23-15-5-6-19(24)17(13-15)20-4-1-10-26(20)21-8-11-27-22(7-9-25-27)18(21)14-16-3-2-12-28-16;2-1-3/h5-9,11,13,16,20H,1-4,10,12,14H2;1H,(H2,2,3)
InChIKeyDDXFTIXUZJTXIP-UHFFFAOYSA-N
XLogP3.78
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide (CID 118104850) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide is Fc1ccc(F)c(C2CCCN2c2ccn3nccc3c2CC2CCCO2)c1.NC=O.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide?
The InChIKey is DDXFTIXUZJTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O.CH3NO/c23-15-5-6-19(24)17(13-15)20-4-1-10-26(20)21-8-11-27-22(7-9-25-27)18(21)14-16-3-2-12-28-16;2-1-3/h5-9,11,13,16,20H,1-4,10,12,14H2;1H,(H2,2,3).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide has a molecular weight of 428.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide is sourced from PubChem (CID 118104850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).