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

C29H27ClF3N5O2 — CID 71582540

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

2-[[1-[4-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide (PubChem CID 71582540) has the molecular formula C29H27ClF3N5O2 and a molecular weight of 570.02 g/mol. Its IUPAC name is 2-[[1-[4-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[1-[4-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
• PubChem CID: 71582540
• Molecular Formula: C29H27ClF3N5O2
• Molecular Weight: 570.02 g/mol
• Exact Mass: 569.18
• IUPAC Name: 2-[[1-[4-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
• SMILES: Cc1c(C(=O)NCC(F)(F)F)ccc2nn(CC3CCN(C(=O)c4ccc(-c5ccc(Cl)cn5)cc4)CC3)cc12
• InChI: InChI=1S/C29H27ClF3N5O2/c1-18-23(27(39)35-17-29(31,32)33)7-9-26-24(18)16-38(36-26)15-19-10-12-37(13-11-19)28(40)21-4-2-20(3-5-21)25-8-6-22(30)14-34-25/h2-9,14,16,19H,10-13,15,17H2,1H3,(H,35,39)
• InChIKey: AOQSQDCNSVZICG-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.02
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[[1-[4-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide (CID 71582540) is 2-[[1-[4-(5-chloro-2-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-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The canonical SMILES for 2-[[1-[4-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide is Cc1c(C(=O)NCC(F)(F)F)ccc2nn(CC3CCN(C(=O)c4ccc(-c5ccc(Cl)cn5)cc4)CC3)cc12.

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

The InChIKey is AOQSQDCNSVZICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF3N5O2/c1-18-23(27(39)35-17-29(31,32)33)7-9-26-24(18)16-38(36-26)15-19-10-12-37(13-11-19)28(40)21-4-2-20(3-5-21)25-8-6-22(30)14-34-25/h2-9,14,16,19H,10-13,15,17H2,1H3,(H,35,39).

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

2-[[1-[4-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide has a molecular weight of 570.02 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[4-(5-chloro-2-pyridinyl)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide is sourced from PubChem (CID 71582540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).