N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H22FN5O3 — CID 164605941

IUPACN-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(OC[C@@H](N)c2ccccc2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C23H22FN5O3/c1-13-21(23(28-32-13)31-12-19(25)17-4-2-3-5-18(17)24)15-8-9-29-16(10-15)11-20(27-29)26-22(30)14-6-7-14/h2-5,8-11,14,19H,6-7,12,25H2,1H3,(H,26,27,30)/t19-/m1/s1
InChIKeyLJRIMNGUFVLNLR-LJQANCHMSA-N
MW435.46 g/mol
LogP3.86
Rot. Bonds7

About N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605941) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605941
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC NameN-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(OC[C@@H](N)c2ccccc2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C23H22FN5O3/c1-13-21(23(28-32-13)31-12-19(25)17-4-2-3-5-18(17)24)15-8-9-29-16(10-15)11-20(27-29)26-22(30)14-6-7-14/h2-5,8-11,14,19H,6-7,12,25H2,1H3,(H,26,27,30)/t19-/m1/s1
InChIKeyLJRIMNGUFVLNLR-LJQANCHMSA-N
XLogP3.86
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605941) is N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1onc(OC[C@@H](N)c2ccccc2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is LJRIMNGUFVLNLR-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-13-21(23(28-32-13)31-12-19(25)17-4-2-3-5-18(17)24)15-8-9-29-16(10-15)11-20(27-29)26-22(30)14-6-7-14/h2-5,8-11,14,19H,6-7,12,25H2,1H3,(H,26,27,30)/t19-/m1/s1.
What are the key properties of N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(2S)-2-amino-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).