(8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen

C104H111F4N11O16S — CID 158786619

About (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen

(8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen (PubChem CID 158786619) has the molecular formula C104H111F4N11O16S and a molecular weight of 1879.15 g/mol. Its IUPAC name is (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen.

Molecular Properties

• Compound Name: (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen
• PubChem CID: 158786619
• Molecular Formula: C104H111F4N11O16S
• Molecular Weight: 1879.15 g/mol
• Exact Mass: 1877.79
• IUPAC Name: (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen
• SMILES: CC(C)CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C#N)ccc23)cc1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2-c2nn(C)cc23)ccc1OC(C)C.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1O[C@@H]1CCC[C@H]1O.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)nc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H30N2O5.C27H27N3O4S.C26H28FN3O4.C23H20F3N3O3.3H2/c1-33-25-18-19(11-12-24(25)34-23-9-4-7-21(23)31)27(32)29-16-13-28(14-17-29)26-10-5-15-30(26)20-6-2-3-8-22(20)35-28;1-19(2)18-35(32,33)22-10-7-20(8-11-22)26(31)29-15-13-27(14-16-29)25-12-9-21(17-28)30(25)23-5-3-4-6-24(23)34-27;1-16(2)33-22-7-5-17(13-23(22)32-4)25(31)30-11-9-26(10-12-30)20-15-29(3)28-24(20)19-14-18(27)6-8-21(19)34-26;1-31-15-6-7-16(27-14-15)21(30)28-12-10-22(11-13-28)19-8-9-20(23(24,25)26)29(19)17-4-2-3-5-18(17)32-22;;;/h2-3,5-6,8,10-12,15,18,21,23,31H,4,7,9,13-14,16-17H2,1H3;3-12,19H,13-16,18H2,1-2H3;5-8,13-16H,9-12H2,1-4H3;2-9,14H,10-13H2,1H3;3*1H/t21-,23-;;;;;;/m1....../s1
• InChIKey: IRTMWPXXDROHPK-JFIITMMASA-N
• XLogP: 18.31
• TPSA: 287.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.15
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen?

The IUPAC name of (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen (CID 158786619) is (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen.

What is the SMILES notation for (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen?

The canonical SMILES for (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen is CC(C)CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C#N)ccc23)cc1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2-c2nn(C)cc23)ccc1OC(C)C.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1O[C@@H]1CCC[C@H]1O.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)nc1.[H][H].[H][H].[H][H].

What is the InChIKey of (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen?

The InChIKey is IRTMWPXXDROHPK-JFIITMMASA-N. The full InChI is InChI=1S/C28H30N2O5.C27H27N3O4S.C26H28FN3O4.C23H20F3N3O3.3H2/c1-33-25-18-19(11-12-24(25)34-23-9-4-7-21(23)31)27(32)29-16-13-28(14-17-29)26-10-5-15-30(26)20-6-2-3-8-22(20)35-28;1-19(2)18-35(32,33)22-10-7-20(8-11-22)26(31)29-15-13-27(14-16-29)25-12-9-21(17-28)30(25)23-5-3-4-6-24(23)34-27;1-16(2)33-22-7-5-17(13-23(22)32-4)25(31)30-11-9-26(10-12-30)20-15-29(3)28-24(20)19-14-18(27)6-8-21(19)34-26;1-31-15-6-7-16(27-14-15)21(30)28-12-10-22(11-13-28)19-8-9-20(23(24,25)26)29(19)17-4-2-3-5-18(17)32-22;;;/h2-3,5-6,8,10-12,15,18,21,23,31H,4,7,9,13-14,16-17H2,1H3;3-12,19H,13-16,18H2,1-2H3;5-8,13-16H,9-12H2,1-4H3;2-9,14H,10-13H2,1H3;3*1H/t21-,23-;;;;;;/m1....../s1.

What are the key properties of (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen?

(8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen has a molecular weight of 1879.15 g/mol, XLogP of 18.31, 14 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(5-methoxy-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;1-[4-(2-methylpropylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen is sourced from PubChem (CID 158786619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).