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

C21H18FN5O3 — CID 175682332

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn2ccc(CO)cc12
InChIInChI=1S/C21H18FN5O3/c1-11-2-3-13(19-25-21(30-26-19)14-8-16(14)22)7-17(11)24-20(29)15-9-23-27-5-4-12(10-28)6-18(15)27/h2-7,9,14,16,28H,8,10H2,1H3,(H,24,29)/t14-,16-/m0/s1
InChIKeyFTPUUJRZIIKFKL-HOCLYGCPSA-N
MW407.41 g/mol
LogP3.26
Rot. Bonds5

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

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682332) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(hydroxymethyl)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-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175682332
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn2ccc(CO)cc12
InChIInChI=1S/C21H18FN5O3/c1-11-2-3-13(19-25-21(30-26-19)14-8-16(14)22)7-17(11)24-20(29)15-9-23-27-5-4-12(10-28)6-18(15)27/h2-7,9,14,16,28H,8,10H2,1H3,(H,24,29)/t14-,16-/m0/s1
InChIKeyFTPUUJRZIIKFKL-HOCLYGCPSA-N
XLogP3.26
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(hydroxymethyl)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-(hydroxymethyl)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-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682332) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(hydroxymethyl)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-(hydroxymethyl)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-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnn2ccc(CO)cc12.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FTPUUJRZIIKFKL-HOCLYGCPSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-11-2-3-13(19-25-21(30-26-19)14-8-16(14)22)7-17(11)24-20(29)15-9-23-27-5-4-12(10-28)6-18(15)27/h2-7,9,14,16,28H,8,10H2,1H3,(H,24,29)/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]-5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).