[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone

C27H26F2N4O2 — CID 146480615

About [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone

[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone (PubChem CID 146480615) has the molecular formula C27H26F2N4O2 and a molecular weight of 476.53 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone.

Molecular Properties

• Compound Name: [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone
• PubChem CID: 146480615
• Molecular Formula: C27H26F2N4O2
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.20
• IUPAC Name: [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone
• SMILES: CCC1Cc2c(nn(C)c2-c2cc(F)cc(F)c2)C(CC)N1C(=O)c1cc(O)c2ncccc2c1
• InChI: InChI=1S/C27H26F2N4O2/c1-4-20-14-21-25(31-32(3)26(21)16-10-18(28)13-19(29)11-16)22(5-2)33(20)27(35)17-9-15-7-6-8-30-24(15)23(34)12-17/h6-13,20,22,34H,4-5,14H2,1-3H3
• InChIKey: OLOHASOORUURGY-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone?

The IUPAC name of [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone (CID 146480615) is [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone.

What is the SMILES notation for [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone?

The canonical SMILES for [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone is CCC1Cc2c(nn(C)c2-c2cc(F)cc(F)c2)C(CC)N1C(=O)c1cc(O)c2ncccc2c1.

What is the InChIKey of [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone?

The InChIKey is OLOHASOORUURGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O2/c1-4-20-14-21-25(31-32(3)26(21)16-10-18(28)13-19(29)11-16)22(5-2)33(20)27(35)17-9-15-7-6-8-30-24(15)23(34)12-17/h6-13,20,22,34H,4-5,14H2,1-3H3.

What are the key properties of [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone?

[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone has a molecular weight of 476.53 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone is sourced from PubChem (CID 146480615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).