(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C103H105Cl2F3N10O17 — CID 158343307

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 158343307) has the molecular formula C103H105Cl2F3N10O17 and a molecular weight of 1882.93 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 158343307
• Molecular Formula: C103H105Cl2F3N10O17
• Molecular Weight: 1882.93 g/mol
• Exact Mass: 1880.70
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• SMILES: COc1cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)ccc1CCO.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OC[C@H]1COC(C)(C)O1.COc1cc(C(C)(C)O)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1
• InChI: InChI=1S/C29H32N2O6.C26H29N3O4.C25H25ClN2O4.C23H19ClF3N3O3/c1-28(2)35-19-21(36-28)18-34-24-11-10-20(17-25(24)33-3)27(32)30-15-12-29(13-16-30)26-9-6-14-31(26)22-7-4-5-8-23(22)37-29;1-25(2,31)17-9-10-19(22(15-17)32-4)24(30)29-13-11-26(12-14-29)20-16-27-28(3)23(20)18-7-5-6-8-21(18)33-26;1-31-21-15-18(5-4-17(21)8-14-29)24(30)27-12-9-25(10-13-27)23-3-2-11-28(23)20-7-6-19(26)16-22(20)32-25;1-29-20-15-4-2-3-5-18(15)32-22(16(20)13-28-29)8-10-30(11-9-22)21(31)14-6-7-19(17(24)12-14)33-23(25,26)27/h4-11,14,17,21H,12-13,15-16,18-19H2,1-3H3;5-10,15-16,31H,11-14H2,1-4H3;2-7,11,15-16,29H,8-10,12-14H2,1H3;2-7,12-13H,8-11H2,1H3/t21-;;;/m0.../s1
• InChIKey: GRKNUORSTMZTCV-YDULTXHLSA-N
• XLogP: 17.75
• TPSA: 268.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.93
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 158343307) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is COc1cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)ccc1CCO.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OC[C@H]1COC(C)(C)O1.COc1cc(C(C)(C)O)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1.

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is GRKNUORSTMZTCV-YDULTXHLSA-N. The full InChI is InChI=1S/C29H32N2O6.C26H29N3O4.C25H25ClN2O4.C23H19ClF3N3O3/c1-28(2)35-19-21(36-28)18-34-24-11-10-20(17-25(24)33-3)27(32)30-15-12-29(13-16-30)26-9-6-14-31(26)22-7-4-5-8-23(22)37-29;1-25(2,31)17-9-10-19(22(15-17)32-4)24(30)29-13-11-26(12-14-29)20-16-27-28(3)23(20)18-7-5-6-8-21(18)33-26;1-31-21-15-18(5-4-17(21)8-14-29)24(30)27-12-9-25(10-13-27)23-3-2-11-28(23)20-7-6-19(26)16-22(20)32-25;1-29-20-15-4-2-3-5-18(15)32-22(16(20)13-28-29)8-10-30(11-9-22)21(31)14-6-7-19(17(24)12-14)33-23(25,26)27/h4-11,14,17,21H,12-13,15-16,18-19H2,1-3H3;5-10,15-16,31H,11-14H2,1-4H3;2-7,11,15-16,29H,8-10,12-14H2,1H3;2-7,12-13H,8-11H2,1H3/t21-;;;/m0.../s1.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 1882.93 g/mol, XLogP of 17.75, 14 rotatable bonds, 2 hydrogen bond donors, and 23 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)-[4-(2-hydroxyethyl)-3-methoxyphenyl]methanone;[3-chloro-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-methoxyphenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[4-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 158343307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).