2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide

C30H30F3N5O3 — CID 71582604

About 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide

2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide (PubChem CID 71582604) has the molecular formula C30H30F3N5O3 and a molecular weight of 565.60 g/mol. Its IUPAC name is 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
• PubChem CID: 71582604
• Molecular Formula: C30H30F3N5O3
• Molecular Weight: 565.60 g/mol
• Exact Mass: 565.23
• IUPAC Name: 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
• SMILES: COc1ccc(-c2ccc(C(=O)N3CCC(Cn4cc5c(C)c(C(=O)NCC(F)(F)F)ccc5n4)CC3)cc2)cn1
• InChI: InChI=1S/C30H30F3N5O3/c1-19-24(28(39)35-18-30(31,32)33)8-9-26-25(19)17-38(36-26)16-20-11-13-37(14-12-20)29(40)22-5-3-21(4-6-22)23-7-10-27(41-2)34-15-23/h3-10,15,17,20H,11-14,16,18H2,1-2H3,(H,35,39)
• InChIKey: PUQACUPGSBAFRQ-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.60
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The IUPAC name of 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide (CID 71582604) is 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide.

What is the SMILES notation for 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The canonical SMILES for 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide is COc1ccc(-c2ccc(C(=O)N3CCC(Cn4cc5c(C)c(C(=O)NCC(F)(F)F)ccc5n4)CC3)cc2)cn1.

What is the InChIKey of 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The InChIKey is PUQACUPGSBAFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N5O3/c1-19-24(28(39)35-18-30(31,32)33)8-9-26-25(19)17-38(36-26)16-20-11-13-37(14-12-20)29(40)22-5-3-21(4-6-22)23-7-10-27(41-2)34-15-23/h3-10,15,17,20H,11-14,16,18H2,1-2H3,(H,35,39).

What are the key properties of 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide has a molecular weight of 565.60 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[4-(6-methoxy-3-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide is sourced from PubChem (CID 71582604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).