5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C26H21F2N5O2 — CID 78127771

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cnn4ccc(N5CCCC5c5cc(F)ccc5F)cc34)cc2o1
InChIInChI=1S/C26H21F2N5O2/c1-15-30-22-7-5-17(12-25(22)35-15)31-26(34)20-14-29-33-10-8-18(13-24(20)33)32-9-2-3-23(32)19-11-16(27)4-6-21(19)28/h4-8,10-14,23H,2-3,9H2,1H3,(H,31,34)
InChIKeyTZURFTPUWZXSDS-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.66
Rot. Bonds4

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 78127771) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID78127771
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cnn4ccc(N5CCCC5c5cc(F)ccc5F)cc34)cc2o1
InChIInChI=1S/C26H21F2N5O2/c1-15-30-22-7-5-17(12-25(22)35-15)31-26(34)20-14-29-33-10-8-18(13-24(20)33)32-9-2-3-23(32)19-11-16(27)4-6-21(19)28/h4-8,10-14,23H,2-3,9H2,1H3,(H,31,34)
InChIKeyTZURFTPUWZXSDS-UHFFFAOYSA-N
XLogP5.66
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 78127771) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nc2ccc(NC(=O)c3cnn4ccc(N5CCCC5c5cc(F)ccc5F)cc34)cc2o1.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is TZURFTPUWZXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c1-15-30-22-7-5-17(12-25(22)35-15)31-26(34)20-14-29-33-10-8-18(13-24(20)33)32-9-2-3-23(32)19-11-16(27)4-6-21(19)28/h4-8,10-14,23H,2-3,9H2,1H3,(H,31,34).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 78127771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).