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

C21H18FN5O2 — CID 175682321

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc2c(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)cnn2c1
InChIInChI=1S/C21H18FN5O2/c1-11-3-6-18-15(9-23-27(18)10-11)20(28)24-17-7-13(5-4-12(17)2)19-25-21(29-26-19)14-8-16(14)22/h3-7,9-10,14,16H,8H2,1-2H3,(H,24,28)/t14-,16-/m0/s1
InChIKeyJDVCLRWHCJRBIR-HOCLYGCPSA-N
MW391.41 g/mol
LogP4.08
Rot. Bonds4

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

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682321) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175682321
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc2c(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)cnn2c1
InChIInChI=1S/C21H18FN5O2/c1-11-3-6-18-15(9-23-27(18)10-11)20(28)24-17-7-13(5-4-12(17)2)19-25-21(29-26-19)14-8-16(14)22/h3-7,9-10,14,16H,8H2,1-2H3,(H,24,28)/t14-,16-/m0/s1
InChIKeyJDVCLRWHCJRBIR-HOCLYGCPSA-N
XLogP4.08
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-6-methylpyrazolo[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]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682321) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[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]-6-methylpyrazolo[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]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc2c(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)cnn2c1.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JDVCLRWHCJRBIR-HOCLYGCPSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-11-3-6-18-15(9-23-27(18)10-11)20(28)24-17-7-13(5-4-12(17)2)19-25-21(29-26-19)14-8-16(14)22/h3-7,9-10,14,16H,8H2,1-2H3,(H,24,28)/t14-,16-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 4.08, 4 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]-6-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).