(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone

C102H102ClFN12O11 — CID 162232630

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone (PubChem CID 162232630) has the molecular formula C102H102ClFN12O11 and a molecular weight of 1726.46 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone
• PubChem CID: 162232630
• Molecular Formula: C102H102ClFN12O11
• Molecular Weight: 1726.46 g/mol
• Exact Mass: 1724.75
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cc1CO.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3c(C)nn2C)ccc1OC(C)C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1.O=C(c1cccc(F)c1)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12
• InChI: InChI=1S/C27H24N4O2.C27H31N3O3.C26H29N3O4.C22H18ClFN2O2/c1-30-25-22-9-5-6-10-24(22)33-27(23(25)18-29-30)11-13-31(14-12-27)26(32)21-15-20(16-28-17-21)19-7-3-2-4-8-19;1-17(2)32-22-11-10-20(16-18(22)3)26(31)30-14-12-27(13-15-30)24-19(4)28-29(5)25(24)21-8-6-7-9-23(21)33-27;1-17(2)32-22-9-8-18(14-19(22)16-30)25(31)29-12-10-26(11-13-29)21-15-28(3)27-24(21)20-6-4-5-7-23(20)33-26;23-16-6-7-18-19(14-16)28-22(20-5-2-10-26(18)20)8-11-25(12-9-22)21(27)15-3-1-4-17(24)13-15/h2-10,15-18H,11-14H2,1H3;6-11,16-17H,12-15H2,1-5H3;4-9,14-15,17,30H,10-13,16H2,1-3H3;1-7,10,13-14H,8-9,11-12H2
• InChIKey: ZVQDGIAWTHNMPS-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 228.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1726.46
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone (CID 162232630) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cc1CO.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3c(C)nn2C)ccc1OC(C)C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1.O=C(c1cccc(F)c1)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone?

The InChIKey is ZVQDGIAWTHNMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.C27H31N3O3.C26H29N3O4.C22H18ClFN2O2/c1-30-25-22-9-5-6-10-24(22)33-27(23(25)18-29-30)11-13-31(14-12-27)26(32)21-15-20(16-28-17-21)19-7-3-2-4-8-19;1-17(2)32-22-11-10-20(16-18(22)3)26(31)30-14-12-27(13-15-30)24-19(4)28-29(5)25(24)21-8-6-7-9-23(21)33-27;1-17(2)32-22-9-8-18(14-19(22)16-30)25(31)29-12-10-26(11-13-29)21-15-28(3)27-24(21)20-6-4-5-7-23(20)33-26;23-16-6-7-18-19(14-16)28-22(20-5-2-10-26(18)20)8-11-25(12-9-22)21(27)15-3-1-4-17(24)13-15/h2-10,15-18H,11-14H2,1H3;6-11,16-17H,12-15H2,1-5H3;4-9,14-15,17,30H,10-13,16H2,1-3H3;1-7,10,13-14H,8-9,11-12H2.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone has a molecular weight of 1726.46 g/mol, XLogP of 18.37, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-fluorophenyl)methanone;(1,3-dimethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(5-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 162232630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).