[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone

C80H83F4N9O11S — CID 158216628

About [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone

[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone (PubChem CID 158216628) has the molecular formula C80H83F4N9O11S and a molecular weight of 1454.65 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone
• PubChem CID: 158216628
• Molecular Formula: C80H83F4N9O11S
• Molecular Weight: 1454.65 g/mol
• Exact Mass: 1453.59
• IUPAC Name: [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)nc1.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)ccc1O[C@@H]1CCC[C@H]1O.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H29FN2O5.C27H24N4O3S.C25H24F3N3O3.3H2/c1-34-25-16-18(7-10-23(25)35-22-5-2-4-21(22)32)27(33)30-14-11-28(12-15-30)26-6-3-13-31(26)20-9-8-19(29)17-24(20)36-28;1-30-24-19-4-2-3-5-23(19)34-27(20(24)15-28-30)9-11-31(12-10-27)26(32)21-16-35-25(29-21)18-6-7-22-17(14-18)8-13-33-22;1-16(2)33-17-7-8-18(29-15-17)23(32)30-13-11-24(12-14-30)21-9-10-22(25(26,27)28)31(21)19-5-3-4-6-20(19)34-24;;;/h3,6-10,13,16-17,21-22,32H,2,4-5,11-12,14-15H2,1H3;2-7,14-16H,8-13H2,1H3;3-10,15-16H,11-14H2,1-2H3;3*1H/t21-,22-;;;;;/m1...../s1
• InChIKey: GCSQLYPTHKYKLK-LKPFJRIYSA-N
• XLogP: 15.05
• TPSA: 199.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1454.65
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone (CID 158216628) is [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone.

What is the SMILES notation for [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The canonical SMILES for [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)nc1.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)ccc1O[C@@H]1CCC[C@H]1O.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

The InChIKey is GCSQLYPTHKYKLK-LKPFJRIYSA-N. The full InChI is InChI=1S/C28H29FN2O5.C27H24N4O3S.C25H24F3N3O3.3H2/c1-34-25-16-18(7-10-23(25)35-22-5-2-4-21(22)32)27(33)30-14-11-28(12-15-30)26-6-3-13-31(26)20-9-8-19(29)17-24(20)36-28;1-30-24-19-4-2-3-5-23(19)34-27(20(24)15-28-30)9-11-31(12-10-27)26(32)21-16-35-25(29-21)18-6-7-22-17(14-18)8-13-33-22;1-16(2)33-17-7-8-18(29-15-17)23(32)30-13-11-24(12-14-30)21-9-10-22(25(26,27)28)31(21)19-5-3-4-6-20(19)34-24;;;/h3,6-10,13,16-17,21-22,32H,2,4-5,11-12,14-15H2,1H3;2-7,14-16H,8-13H2,1H3;3-10,15-16H,11-14H2,1-2H3;3*1H/t21-,22-;;;;;/m1...../s1.

What are the key properties of [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone?

[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone has a molecular weight of 1454.65 g/mol, XLogP of 15.05, 9 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]methanone;molecular hydrogen;(5-propan-2-yloxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone is sourced from PubChem (CID 158216628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).