(4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride

C41H41Cl3F6N8O6 — CID 157245766

About (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride

(4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride (PubChem CID 157245766) has the molecular formula C41H41Cl3F6N8O6 and a molecular weight of 962.18 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride
• PubChem CID: 157245766
• Molecular Formula: C41H41Cl3F6N8O6
• Molecular Weight: 962.18 g/mol
• Exact Mass: 960.21
• IUPAC Name: (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.Cl.NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
• InChI: InChI=1S/C23H24ClF3N4O4.C18H16ClF3N4O2.ClH/c1-22(2,3)35-21(33)28-15-4-7-30(8-5-15)20(32)17-18(24)31-11-14(13-6-9-34-12-13)10-16(19(31)29-17)23(25,26)27;19-15-14(17(27)25-4-1-12(23)2-5-25)24-16-13(18(20,21)22)7-11(8-26(15)16)10-3-6-28-9-10;/h6,9-12,15H,4-5,7-8H2,1-3H3,(H,28,33);3,6-9,12H,1-2,4-5,23H2;1H
• InChIKey: CTJOAAFDYZJRRJ-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 165.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	962.18
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride?

The IUPAC name of (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride (CID 157245766) is (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride.

What is the SMILES notation for (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride?

The canonical SMILES for (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.Cl.NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.

What is the InChIKey of (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride?

The InChIKey is CTJOAAFDYZJRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O4.C18H16ClF3N4O2.ClH/c1-22(2,3)35-21(33)28-15-4-7-30(8-5-15)20(32)17-18(24)31-11-14(13-6-9-34-12-13)10-16(19(31)29-17)23(25,26)27;19-15-14(17(27)25-4-1-12(23)2-5-25)24-16-13(18(20,21)22)7-11(8-26(15)16)10-3-6-28-9-10;/h6,9-12,15H,4-5,7-8H2,1-3H3,(H,28,33);3,6-9,12H,1-2,4-5,23H2;1H.

What are the key properties of (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride?

(4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride has a molecular weight of 962.18 g/mol, XLogP of 9.65, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminopiperidin-1-yl)-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]carbamate;hydrochloride is sourced from PubChem (CID 157245766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).