8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one

C26H24ClN5O2 — CID 169270082

About 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one

8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one (PubChem CID 169270082) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one.

Molecular Properties

• Compound Name: 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one
• PubChem CID: 169270082
• Molecular Formula: C26H24ClN5O2
• Molecular Weight: 473.96 g/mol
• Exact Mass: 473.16
• IUPAC Name: 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one
• SMILES: Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C)c2oc(-c3ccc4cnn(C)c4n3)c(C)c(=O)c2c1
• InChI: InChI=1S/C26H24ClN5O2/c1-13-10-18(15(3)29-20-8-9-22(27)30-16(20)4)25-19(11-13)23(33)14(2)24(34-25)21-7-6-17-12-28-32(5)26(17)31-21/h6-12,15,29H,1-5H3/t15-/m1/s1
• InChIKey: YSDZMACSQHGVMX-OAHLLOKOSA-N
• XLogP: 5.89
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.96
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one?

The IUPAC name of 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one (CID 169270082) is 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one.

What is the SMILES notation for 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one?

The canonical SMILES for 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C)c2oc(-c3ccc4cnn(C)c4n3)c(C)c(=O)c2c1.

What is the InChIKey of 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one?

The InChIKey is YSDZMACSQHGVMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-13-10-18(15(3)29-20-8-9-22(27)30-16(20)4)25-19(11-13)23(33)14(2)24(34-25)21-7-6-17-12-28-32(5)26(17)31-21/h6-12,15,29H,1-5H3/t15-/m1/s1.

What are the key properties of 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one?

8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one has a molecular weight of 473.96 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one is sourced from PubChem (CID 169270082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).