[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C22H22ClF3N4O2 — CID 59443786

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 59443786) has the molecular formula C22H22ClF3N4O2 and a molecular weight of 466.89 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
• PubChem CID: 59443786
• Molecular Formula: C22H22ClF3N4O2
• Molecular Weight: 466.89 g/mol
• Exact Mass: 466.14
• IUPAC Name: [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
• SMILES: O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(NCC2CC2)CC1
• InChI: InChI=1S/C22H22ClF3N4O2/c23-19-18(21(31)29-6-3-16(4-7-29)27-10-13-1-2-13)28-20-17(22(24,25)26)9-15(11-30(19)20)14-5-8-32-12-14/h5,8-9,11-13,16,27H,1-4,6-7,10H2
• InChIKey: ZKOKTXVCWQZVBT-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 62.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.89
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?

The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 59443786) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?

The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(NCC2CC2)CC1.

What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?

The InChIKey is ZKOKTXVCWQZVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O2/c23-19-18(21(31)29-6-3-16(4-7-29)27-10-13-1-2-13)28-20-17(22(24,25)26)9-15(11-30(19)20)14-5-8-32-12-14/h5,8-9,11-13,16,27H,1-4,6-7,10H2.

What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 466.89 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 59443786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).