(3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone

C24H25N3O4S — CID 87056266

IUPAC(3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
SMILESCOc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)N3CCC(O)C3)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H25N3O4S/c1-14(2)8-15-9-18-21(10-20(15)30-3)31-12-19-22(24(29)26-6-4-17(28)11-26)25-27(23(18)19)16-5-7-32-13-16/h5,7-10,13,17,28H,4,6,11-12H2,1-3H3
InChIKeyQWXICQXZBDQELT-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.13
Rot. Bonds4

About (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone

(3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone (PubChem CID 87056266) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
PubChem CID87056266
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
SMILESCOc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)N3CCC(O)C3)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H25N3O4S/c1-14(2)8-15-9-18-21(10-20(15)30-3)31-12-19-22(24(29)26-6-4-17(28)11-26)25-27(23(18)19)16-5-7-32-13-16/h5,7-10,13,17,28H,4,6,11-12H2,1-3H3
InChIKeyQWXICQXZBDQELT-UHFFFAOYSA-N
XLogP4.13
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?
The IUPAC name of (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) is (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone is COc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)N3CCC(O)C3)nn1-c1ccsc1)CO2.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?
The InChIKey is QWXICQXZBDQELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-14(2)8-15-9-18-21(10-20(15)30-3)31-12-19-22(24(29)26-6-4-17(28)11-26)25-27(23(18)19)16-5-7-32-13-16/h5,7-10,13,17,28H,4,6,11-12H2,1-3H3.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?
(3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone has a molecular weight of 451.55 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 87056266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).