3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine

C24H23F2N3OS — CID 156787748

IUPAC3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine
SMILESCOc1c(F)cc(F)cc1-c1cnn2ccc(-c3ccc(CN4CCCCC4)s3)cc12
InChIInChI=1S/C24H23F2N3OS/c1-30-24-19(12-17(25)13-21(24)26)20-14-27-29-10-7-16(11-22(20)29)23-6-5-18(31-23)15-28-8-3-2-4-9-28/h5-7,10-14H,2-4,8-9,15H2,1H3
InChIKeyVTQKMEPUNMIRRX-UHFFFAOYSA-N
MW439.53 g/mol
LogP6.00
Rot. Bonds5

About 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine

3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine (PubChem CID 156787748) has the molecular formula C24H23F2N3OS and a molecular weight of 439.53 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine
PubChem CID156787748
Molecular FormulaC24H23F2N3OS
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Name3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine
SMILESCOc1c(F)cc(F)cc1-c1cnn2ccc(-c3ccc(CN4CCCCC4)s3)cc12
InChIInChI=1S/C24H23F2N3OS/c1-30-24-19(12-17(25)13-21(24)26)20-14-27-29-10-7-16(11-22(20)29)23-6-5-18(31-23)15-28-8-3-2-4-9-28/h5-7,10-14H,2-4,8-9,15H2,1H3
InChIKeyVTQKMEPUNMIRRX-UHFFFAOYSA-N
XLogP6.00
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine (CID 156787748) is 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine is COc1c(F)cc(F)cc1-c1cnn2ccc(-c3ccc(CN4CCCCC4)s3)cc12.
What is the InChIKey of 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is VTQKMEPUNMIRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3OS/c1-30-24-19(12-17(25)13-21(24)26)20-14-27-29-10-7-16(11-22(20)29)23-6-5-18(31-23)15-28-8-3-2-4-9-28/h5-7,10-14H,2-4,8-9,15H2,1H3.
What are the key properties of 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine?
3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 439.53 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-methoxyphenyl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 156787748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).