[(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate

C20H18N4O4 — CID 173494286

IUPAC[(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate
SMILESC/C=C(\C)OC(=O)N(c1ccccc1OC)c1cc(=O)c(C#N)c2cc[nH]n12
InChIInChI=1S/C20H18N4O4/c1-4-13(2)28-20(26)23(16-7-5-6-8-18(16)27-3)19-11-17(25)14(12-21)15-9-10-22-24(15)19/h4-11,22H,1-3H3/b13-4+
InChIKeyHUWBBSKVEGLYNS-YIXHJXPBSA-N
MW378.39 g/mol
LogP3.71
Rot. Bonds4

About [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate

[(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate (PubChem CID 173494286) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate
PubChem CID173494286
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name[(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate
SMILESC/C=C(\C)OC(=O)N(c1ccccc1OC)c1cc(=O)c(C#N)c2cc[nH]n12
InChIInChI=1S/C20H18N4O4/c1-4-13(2)28-20(26)23(16-7-5-6-8-18(16)27-3)19-11-17(25)14(12-21)15-9-10-22-24(15)19/h4-11,22H,1-3H3/b13-4+
InChIKeyHUWBBSKVEGLYNS-YIXHJXPBSA-N
XLogP3.71
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate?
The IUPAC name of [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate (CID 173494286) is [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate?
The canonical SMILES for [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate is C/C=C(\C)OC(=O)N(c1ccccc1OC)c1cc(=O)c(C#N)c2cc[nH]n12.
What is the InChIKey of [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate?
The InChIKey is HUWBBSKVEGLYNS-YIXHJXPBSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-4-13(2)28-20(26)23(16-7-5-6-8-18(16)27-3)19-11-17(25)14(12-21)15-9-10-22-24(15)19/h4-11,22H,1-3H3/b13-4+.
What are the key properties of [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate?
[(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate has a molecular weight of 378.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-en-2-yl] N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 173494286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).