3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one

C28H27ClN4O — CID 160898430

About 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one

3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one (PubChem CID 160898430) has the molecular formula C28H27ClN4O and a molecular weight of 471.00 g/mol. Its IUPAC name is 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one
• PubChem CID: 160898430
• Molecular Formula: C28H27ClN4O
• Molecular Weight: 471.00 g/mol
• Exact Mass: 470.19
• IUPAC Name: 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one
• SMILES: Cc1cc2c(c(C)c1CCC(=O)c1cnn(Cc3cn4cc(C5CC5)ccc4n3)c1)C(Cl)=CC2
• InChI: InChI=1S/C28H27ClN4O/c1-17-11-20-5-8-25(29)28(20)18(2)24(17)7-9-26(34)22-12-30-33(14-22)16-23-15-32-13-21(19-3-4-19)6-10-27(32)31-23/h6,8,10-15,19H,3-5,7,9,16H2,1-2H3
• InChIKey: WVIDNBXGBJWJEZ-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 52.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.00
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one?

The IUPAC name of 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one (CID 160898430) is 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one.

What is the SMILES notation for 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one?

The canonical SMILES for 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one is Cc1cc2c(c(C)c1CCC(=O)c1cnn(Cc3cn4cc(C5CC5)ccc4n3)c1)C(Cl)=CC2.

What is the InChIKey of 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one?

The InChIKey is WVIDNBXGBJWJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O/c1-17-11-20-5-8-25(29)28(20)18(2)24(17)7-9-26(34)22-12-30-33(14-22)16-23-15-32-13-21(19-3-4-19)6-10-27(32)31-23/h6,8,10-15,19H,3-5,7,9,16H2,1-2H3.

What are the key properties of 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one?

3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one has a molecular weight of 471.00 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4,6-dimethyl-1H-inden-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 160898430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).