2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one

C20H15N3O3S — CID 31192046

IUPAC2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCc2[nH]nc(-c3cccs3)c2C1
InChIInChI=1S/C20H15N3O3S/c24-15-10-17(26-16-5-2-1-4-12(15)16)20(25)23-8-7-14-13(11-23)19(22-21-14)18-6-3-9-27-18/h1-6,9-10H,7-8,11H2,(H,21,22)
InChIKeyRDNNRPAJQKGJDK-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.44
Rot. Bonds2

About 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one

2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one (PubChem CID 31192046) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one
PubChem CID31192046
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCc2[nH]nc(-c3cccs3)c2C1
InChIInChI=1S/C20H15N3O3S/c24-15-10-17(26-16-5-2-1-4-12(15)16)20(25)23-8-7-14-13(11-23)19(22-21-14)18-6-3-9-27-18/h1-6,9-10H,7-8,11H2,(H,21,22)
InChIKeyRDNNRPAJQKGJDK-UHFFFAOYSA-N
XLogP3.44
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one?
The IUPAC name of 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one (CID 31192046) is 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one?
The canonical SMILES for 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCc2[nH]nc(-c3cccs3)c2C1.
What is the InChIKey of 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one?
The InChIKey is RDNNRPAJQKGJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-15-10-17(26-16-5-2-1-4-12(15)16)20(25)23-8-7-14-13(11-23)19(22-21-14)18-6-3-9-27-18/h1-6,9-10H,7-8,11H2,(H,21,22).
What are the key properties of 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one?
2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one has a molecular weight of 377.43 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)chromen-4-one is sourced from PubChem (CID 31192046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).