N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C29H26FN5O2 — CID 175682594

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(C)c(-c2ccn3ncc(C(=O)Nc4cc(-c5noc([C@H]6C[C@@H]6F)n5)ccc4C)c3c2)c(C)c1
InChIInChI=1S/C29H26FN5O2/c1-15-9-17(3)26(18(4)10-15)19-7-8-35-25(12-19)22(14-31-35)28(36)32-24-11-20(6-5-16(24)2)27-33-29(37-34-27)21-13-23(21)30/h5-12,14,21,23H,13H2,1-4H3,(H,32,36)/t21-,23-/m0/s1
InChIKeyQUPRYMIQSHQEBQ-GMAHTHKFSA-N
MW495.56 g/mol
LogP6.36
Rot. Bonds5

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682594) has the molecular formula C29H26FN5O2 and a molecular weight of 495.56 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175682594
Molecular FormulaC29H26FN5O2
Molecular Weight495.56 g/mol
Exact Mass495.21
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(C)c(-c2ccn3ncc(C(=O)Nc4cc(-c5noc([C@H]6C[C@@H]6F)n5)ccc4C)c3c2)c(C)c1
InChIInChI=1S/C29H26FN5O2/c1-15-9-17(3)26(18(4)10-15)19-7-8-35-25(12-19)22(14-31-35)28(36)32-24-11-20(6-5-16(24)2)27-33-29(37-34-27)21-13-23(21)30/h5-12,14,21,23H,13H2,1-4H3,(H,32,36)/t21-,23-/m0/s1
InChIKeyQUPRYMIQSHQEBQ-GMAHTHKFSA-N
XLogP6.36
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.56
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682594) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(C)c(-c2ccn3ncc(C(=O)Nc4cc(-c5noc([C@H]6C[C@@H]6F)n5)ccc4C)c3c2)c(C)c1.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QUPRYMIQSHQEBQ-GMAHTHKFSA-N. The full InChI is InChI=1S/C29H26FN5O2/c1-15-9-17(3)26(18(4)10-15)19-7-8-35-25(12-19)22(14-31-35)28(36)32-24-11-20(6-5-16(24)2)27-33-29(37-34-27)21-13-23(21)30/h5-12,14,21,23H,13H2,1-4H3,(H,32,36)/t21-,23-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).