2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid

C22H21NO5 — CID 22818875

IUPAC2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid
SMILESCCCOc1c([C@@H]2C[C@H]2c2ccc(C)cn2)oc2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C22H21NO5/c1-3-8-27-21-19(24)16-9-13(22(25)26)5-7-18(16)28-20(21)15-10-14(15)17-6-4-12(2)11-23-17/h4-7,9,11,14-15H,3,8,10H2,1-2H3,(H,25,26)/t14-,15-/m1/s1
InChIKeyAOZZGHDJBWTXBW-HUUCEWRRSA-N
MW379.41 g/mol
LogP4.25
Rot. Bonds6

About 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid

2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid (PubChem CID 22818875) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid.

Molecular Properties

Compound Name2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid
PubChem CID22818875
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid
SMILESCCCOc1c([C@@H]2C[C@H]2c2ccc(C)cn2)oc2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C22H21NO5/c1-3-8-27-21-19(24)16-9-13(22(25)26)5-7-18(16)28-20(21)15-10-14(15)17-6-4-12(2)11-23-17/h4-7,9,11,14-15H,3,8,10H2,1-2H3,(H,25,26)/t14-,15-/m1/s1
InChIKeyAOZZGHDJBWTXBW-HUUCEWRRSA-N
XLogP4.25
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 49869550
CID 49869550
CID 5413051
CID 5413051
CID 10382877
CID 10382877
CID 25128776
CID 25128776
CID 44209424
CID 44209424
CID 59599515
CID 59599515
CID 59599576
CID 59599576
CID 740743
CID 740743
CID 854899
CID 854899
CID 1181201
CID 1181201
CID 44265520
CID 44265520
CID 44578596
CID 44578596

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid?
The IUPAC name of 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid (CID 22818875) is 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid.
What is the SMILES notation for 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid?
The canonical SMILES for 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid is CCCOc1c([C@@H]2C[C@H]2c2ccc(C)cn2)oc2ccc(C(=O)O)cc2c1=O.
What is the InChIKey of 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid?
The InChIKey is AOZZGHDJBWTXBW-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H21NO5/c1-3-8-27-21-19(24)16-9-13(22(25)26)5-7-18(16)28-20(21)15-10-14(15)17-6-4-12(2)11-23-17/h4-7,9,11,14-15H,3,8,10H2,1-2H3,(H,25,26)/t14-,15-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid?
2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid has a molecular weight of 379.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-oxo-3-propoxychromene-6-carboxylic acid is sourced from PubChem (CID 22818875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).