1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone

C33H32FN5O3 — CID 148843190

About 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone

1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone (PubChem CID 148843190) has the molecular formula C33H32FN5O3 and a molecular weight of 565.65 g/mol. Its IUPAC name is 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone
• PubChem CID: 148843190
• Molecular Formula: C33H32FN5O3
• Molecular Weight: 565.65 g/mol
• Exact Mass: 565.25
• IUPAC Name: 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2cc3c(cc2C)C=C(C(=O)c2cnn(-c4cnc(Oc5ccccc5F)cc4C)c2N)C3)CC1
• InChI: InChI=1S/C33H32FN5O3/c1-19-12-23-14-25(15-24(23)16-26(19)22-8-10-38(11-9-22)21(3)40)32(41)27-17-37-39(33(27)35)29-18-36-31(13-20(29)2)42-30-7-5-4-6-28(30)34/h4-7,12-14,16-18,22H,8-11,15,35H2,1-3H3
• InChIKey: OVYHDJGGOFBRGU-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 103.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.65
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone (CID 148843190) is 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc3c(cc2C)C=C(C(=O)c2cnn(-c4cnc(Oc5ccccc5F)cc4C)c2N)C3)CC1.

What is the InChIKey of 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone?

The InChIKey is OVYHDJGGOFBRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN5O3/c1-19-12-23-14-25(15-24(23)16-26(19)22-8-10-38(11-9-22)21(3)40)32(41)27-17-37-39(33(27)35)29-18-36-31(13-20(29)2)42-30-7-5-4-6-28(30)34/h4-7,12-14,16-18,22H,8-11,15,35H2,1-3H3.

What are the key properties of 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone?

1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone has a molecular weight of 565.65 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[5-amino-1-[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-6-methyl-3H-inden-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 148843190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).