benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C20H21N3O4 — CID 121246624

IUPACbenzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccn2ncc(C(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C20H21N3O4/c1-20(2,3)27-19(25)22-15-9-10-23-17(11-15)16(12-21-23)18(24)26-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyWOZCJLQFTYUOEW-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.04
Rot. Bonds4

About benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 121246624) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID121246624
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namebenzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccn2ncc(C(=O)OCc3ccccc3)c2c1
InChIInChI=1S/C20H21N3O4/c1-20(2,3)27-19(25)22-15-9-10-23-17(11-15)16(12-21-23)18(24)26-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyWOZCJLQFTYUOEW-UHFFFAOYSA-N
XLogP4.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 121246624) is benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CC(C)(C)OC(=O)Nc1ccn2ncc(C(=O)OCc3ccccc3)c2c1.
What is the InChIKey of benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is WOZCJLQFTYUOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-20(2,3)27-19(25)22-15-9-10-23-17(11-15)16(12-21-23)18(24)26-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 121246624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).