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

C23H23N5O3 — CID 174197615

IUPACN-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(OCC(N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C23H23N5O3/c1-14-21(23(27-31-14)30-13-19(24)15-5-3-2-4-6-15)17-9-10-28-18(11-17)12-20(26-28)25-22(29)16-7-8-16/h2-6,9-12,16,19H,7-8,13,24H2,1H3,(H,25,26,29)
InChIKeyAIMXWLFPLKCVRQ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.73
Rot. Bonds7

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

N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 174197615) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID174197615
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(OCC(N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C23H23N5O3/c1-14-21(23(27-31-14)30-13-19(24)15-5-3-2-4-6-15)17-9-10-28-18(11-17)12-20(26-28)25-22(29)16-7-8-16/h2-6,9-12,16,19H,7-8,13,24H2,1H3,(H,25,26,29)
InChIKeyAIMXWLFPLKCVRQ-UHFFFAOYSA-N
XLogP3.73
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 174197615) is N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1onc(OCC(N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AIMXWLFPLKCVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-21(23(27-31-14)30-13-19(24)15-5-3-2-4-6-15)17-9-10-28-18(11-17)12-20(26-28)25-22(29)16-7-8-16/h2-6,9-12,16,19H,7-8,13,24H2,1H3,(H,25,26,29).
What are the key properties of N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-amino-2-phenylethoxy)-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 174197615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).