7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C24H22N6O5S — CID 87056355

IUPAC7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1cn[nH]c1)-c1c(c(C(=O)NCCN3CCOC3=O)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H22N6O5S/c1-33-19-9-20-17(8-16(19)14-10-26-27-11-14)22-18(12-35-20)21(28-30(22)15-2-7-36-13-15)23(31)25-3-4-29-5-6-34-24(29)32/h2,7-11,13H,3-6,12H2,1H3,(H,25,31)(H,26,27)
InChIKeyXQASVSZNCFBOGJ-UHFFFAOYSA-N
MW506.54 g/mol
LogP3.07
Rot. Bonds7

About 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 87056355) has the molecular formula C24H22N6O5S and a molecular weight of 506.54 g/mol. Its IUPAC name is 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID87056355
Molecular FormulaC24H22N6O5S
Molecular Weight506.54 g/mol
Exact Mass506.14
IUPAC Name7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1cn[nH]c1)-c1c(c(C(=O)NCCN3CCOC3=O)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H22N6O5S/c1-33-19-9-20-17(8-16(19)14-10-26-27-11-14)22-18(12-35-20)21(28-30(22)15-2-7-36-13-15)23(31)25-3-4-29-5-6-34-24(29)32/h2,7-11,13H,3-6,12H2,1H3,(H,25,31)(H,26,27)
InChIKeyXQASVSZNCFBOGJ-UHFFFAOYSA-N
XLogP3.07
TPSA123.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 87056352
[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[4,3-c]pyrazol-3-yl]-[3-(trifluoromethyl)morpholin-4-yl]methanone
CID 117805104
[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[4,3-c]pyrazol-3-yl]-[2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methanone
CID 118615576
N-tert-butyl-8-(2-fluoro-3-pyridinyl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615598
(3,3-dimethylmorpholin-4-yl)-[8-(2-fluoro-3-pyridinyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 118615645
N-tert-butyl-8-(2-fluoro-5-methyl-3-pyridinyl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615647
N-tert-butyl-8-(2-fluorophenyl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615667
N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 155249969
7-Methoxy-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-1,4-dihydro-chromeno[4,3-c]pyrazole-3-carboxylic acid tert-butyl-methyl-amide
CID 86345708
(3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 87056266
3-N-tert-butyl-7-methoxy-3-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3,8-dicarboxamide
CID 87056267
N-tert-butyl-8-(2,4-dimethyl-1,3-thiazol-5-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 87056269

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 87056355) is 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1-c1cn[nH]c1)-c1c(c(C(=O)NCCN3CCOC3=O)nn1-c1ccsc1)CO2.
What is the InChIKey of 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is XQASVSZNCFBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O5S/c1-33-19-9-20-17(8-16(19)14-10-26-27-11-14)22-18(12-35-20)21(28-30(22)15-2-7-36-13-15)23(31)25-3-4-29-5-6-34-24(29)32/h2,7-11,13H,3-6,12H2,1H3,(H,25,31)(H,26,27).
What are the key properties of 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 506.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 87056355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).