[4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone

C101H100F8N10O15 — CID 160508576

About [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone

[4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone (PubChem CID 160508576) has the molecular formula C101H100F8N10O15 and a molecular weight of 1845.95 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone.

Molecular Properties

• Compound Name: [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
• PubChem CID: 160508576
• Molecular Formula: C101H100F8N10O15
• Molecular Weight: 1845.95 g/mol
• Exact Mass: 1844.72
• IUPAC Name: [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
• SMILES: CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)ccc1C(C)(C)O.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1OC(F)F.O=C(c1ccc(O[C@@H]2CCOC2)c(C(F)(F)F)c1)N1CCC2(CC1)Oc1ccccc1-n1cccc12.[H][H]
• InChI: InChI=1S/C27H25F3N2O4.C26H27FN2O4.C24H23F2N3O4.C24H23F2N3O3.H2/c28-27(29,30)20-16-18(7-8-22(20)35-19-9-15-34-17-19)25(33)31-13-10-26(11-14-31)24-6-3-12-32(24)21-4-1-2-5-23(21)36-26;1-25(2,31)19-8-6-17(15-21(19)32-3)24(30)28-13-10-26(11-14-28)23-5-4-12-29(23)20-9-7-18(27)16-22(20)33-26;1-28-21-16-5-3-4-6-18(16)33-24(17(21)14-27-28)9-11-29(12-10-24)22(30)15-7-8-19(32-23(25)26)20(13-15)31-2;1-2-29-21-16-7-3-6-10-20(16)32-24(18(21)15-27-29)11-13-28(14-12-24)22(30)17-8-4-5-9-19(17)31-23(25)26;/h1-8,12,16,19H,9-11,13-15,17H2;4-9,12,15-16,31H,10-11,13-14H2,1-3H3;3-8,13-14,23H,9-12H2,1-2H3;3-10,15,23H,2,11-14H2,1H3;1H/t19-;;;;/m1..../s1
• InChIKey: QSSWRZBCTXGCTN-MXFMKSRJSA-N
• XLogP: 18.73
• TPSA: 239.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1845.95
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone (CID 160508576) is [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone.

What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone is CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)ccc1C(C)(C)O.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1OC(F)F.O=C(c1ccc(O[C@@H]2CCOC2)c(C(F)(F)F)c1)N1CCC2(CC1)Oc1ccccc1-n1cccc12.[H][H].

What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

The InChIKey is QSSWRZBCTXGCTN-MXFMKSRJSA-N. The full InChI is InChI=1S/C27H25F3N2O4.C26H27FN2O4.C24H23F2N3O4.C24H23F2N3O3.H2/c28-27(29,30)20-16-18(7-8-22(20)35-19-9-15-34-17-19)25(33)31-13-10-26(11-14-31)24-6-3-12-32(24)21-4-1-2-5-23(21)36-26;1-25(2,31)19-8-6-17(15-21(19)32-3)24(30)28-13-10-26(11-14-28)23-5-4-12-29(23)20-9-7-18(27)16-22(20)33-26;1-28-21-16-5-3-4-6-18(16)33-24(17(21)14-27-28)9-11-29(12-10-24)22(30)15-7-8-19(32-23(25)26)20(13-15)31-2;1-2-29-21-16-7-3-6-10-20(16)32-24(18(21)15-27-29)11-13-28(14-12-24)22(30)17-8-4-5-9-19(17)31-23(25)26;/h1-8,12,16,19H,9-11,13-15,17H2;4-9,12,15-16,31H,10-11,13-14H2,1-3H3;3-8,13-14,23H,9-12H2,1-2H3;3-10,15,23H,2,11-14H2,1H3;1H/t19-;;;;/m1..../s1.

What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

[4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone has a molecular weight of 1845.95 g/mol, XLogP of 18.73, 14 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(difluoromethoxy)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[2-(difluoromethoxy)phenyl]-(1-ethylspiro[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-(2-hydroxypropan-2-yl)-3-methoxyphenyl]methanone;molecular hydrogen;[4-[(3R)-oxolan-3-yl]oxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone is sourced from PubChem (CID 160508576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).