(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen

C106H119N11O18S — CID 157477070

About (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen

(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen (PubChem CID 157477070) has the molecular formula C106H119N11O18S and a molecular weight of 1867.24 g/mol. Its IUPAC name is (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
• PubChem CID: 157477070
• Molecular Formula: C106H119N11O18S
• Molecular Weight: 1867.24 g/mol
• Exact Mass: 1865.85
• IUPAC Name: (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
• SMILES: CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(S(C)(=O)=O)c(C)c2)CC1.COCCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OCCC(C)C)c(OC)c2)CC1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OCC(=O)O.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3ncn2C)ccc1OC(C)C.[H][H]
• InChI: InChI=1S/C30H37N3O5.C26H29N3O3.C25H27N3O4S.C25H24N2O6.H2/c1-21(2)11-17-37-26-10-9-22(19-27(26)36-4)29(34)32-14-12-30(13-15-32)24-20-31-33(16-18-35-3)28(24)23-7-5-6-8-25(23)38-30;1-17(2)31-21-10-9-19(15-18(21)3)25(30)29-13-11-26(12-14-29)24-23(28(4)16-27-24)20-7-5-6-8-22(20)32-26;1-4-28-23-19-7-5-6-8-21(19)32-25(20(23)16-26-28)11-13-27(14-12-25)24(29)18-9-10-22(17(2)15-18)33(3,30)31;1-31-21-15-17(8-9-20(21)32-16-23(28)29)24(30)26-13-10-25(11-14-26)22-7-4-12-27(22)18-5-2-3-6-19(18)33-25;/h5-10,19-21H,11-18H2,1-4H3;5-10,15-17H,11-14H2,1-4H3;5-10,15-16H,4,11-14H2,1-3H3;2-9,12,15H,10-11,13-14,16H2,1H3,(H,28,29);1H
• InChIKey: BVSITKLUGGVMJP-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 303.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1867.24
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?

The IUPAC name of (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen (CID 157477070) is (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen.

What is the SMILES notation for (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?

The canonical SMILES for (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen is CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(S(C)(=O)=O)c(C)c2)CC1.COCCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OCCC(C)C)c(OC)c2)CC1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OCC(=O)O.Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3ncn2C)ccc1OC(C)C.[H][H].

What is the InChIKey of (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?

The InChIKey is BVSITKLUGGVMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O5.C26H29N3O3.C25H27N3O4S.C25H24N2O6.H2/c1-21(2)11-17-37-26-10-9-22(19-27(26)36-4)29(34)32-14-12-30(13-15-32)24-20-31-33(16-18-35-3)28(24)23-7-5-6-8-25(23)38-30;1-17(2)31-21-10-9-19(15-18(21)3)25(30)29-13-11-26(12-14-29)24-23(28(4)16-27-24)20-7-5-6-8-22(20)32-26;1-4-28-23-19-7-5-6-8-21(19)32-25(20(23)16-26-28)11-13-27(14-12-25)24(29)18-9-10-22(17(2)15-18)33(3,30)31;1-31-21-15-17(8-9-20(21)32-16-23(28)29)24(30)26-13-10-25(11-14-26)22-7-4-12-27(22)18-5-2-3-6-19(18)33-25;/h5-10,19-21H,11-18H2,1-4H3;5-10,15-17H,11-14H2,1-4H3;5-10,15-16H,4,11-14H2,1-3H3;2-9,12,15H,10-11,13-14,16H2,1H3,(H,28,29);1H.

What are the key properties of (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?

(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen has a molecular weight of 1867.24 g/mol, XLogP of 17.39, 20 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methyl-4-methylsulfonylphenyl)methanone;[1-(2-methoxyethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;2-[2-methoxy-4-(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)phenoxy]acetic acid;(3-methyl-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen is sourced from PubChem (CID 157477070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).