9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid

C23H24ClNO6 — CID 154637624

About 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid

9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid (PubChem CID 154637624) has the molecular formula C23H24ClNO6 and a molecular weight of 445.90 g/mol. Its IUPAC name is 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid
• PubChem CID: 154637624
• Molecular Formula: C23H24ClNO6
• Molecular Weight: 445.90 g/mol
• Exact Mass: 445.13
• IUPAC Name: 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid
• SMILES: CC(C)C1Oc2cc(OCC3COC3)c(Cl)cc2-c2c1cc(C(=O)O)c(=O)n2C1CC1
• InChI: InChI=1S/C23H24ClNO6/c1-11(2)21-15-5-16(23(27)28)22(26)25(13-3-4-13)20(15)14-6-17(24)19(7-18(14)31-21)30-10-12-8-29-9-12/h5-7,11-13,21H,3-4,8-10H2,1-2H3,(H,27,28)
• InChIKey: FCMZGMLLVDPKOA-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 86.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.90
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid?

The IUPAC name of 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid (CID 154637624) is 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid.

What is the SMILES notation for 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid?

The canonical SMILES for 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid is CC(C)C1Oc2cc(OCC3COC3)c(Cl)cc2-c2c1cc(C(=O)O)c(=O)n2C1CC1.

What is the InChIKey of 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid?

The InChIKey is FCMZGMLLVDPKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO6/c1-11(2)21-15-5-16(23(27)28)22(26)25(13-3-4-13)20(15)14-6-17(24)19(7-18(14)31-21)30-10-12-8-29-9-12/h5-7,11-13,21H,3-4,8-10H2,1-2H3,(H,27,28).

What are the key properties of 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid?

9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 445.90 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-1-cyclopropyl-8-(oxetan-3-ylmethoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 154637624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).