N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen

C101H109N13O14S3 — CID 160619380

About N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen

N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen (PubChem CID 160619380) has the molecular formula C101H109N13O14S3 and a molecular weight of 1825.26 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen.

Molecular Properties

• Compound Name: N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen
• PubChem CID: 160619380
• Molecular Formula: C101H109N13O14S3
• Molecular Weight: 1825.26 g/mol
• Exact Mass: 1823.74
• IUPAC Name: N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen
• SMILES: COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c3ccc2S(C)(=O)=O)ccc1OC(C)C.CSc1ccccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cc1[nH]c2c(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)cccc2c1C.Cn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.[H][H].[H][H]
• InChI: InChI=1S/C27H30N2O6S.C26H26N4O2.C25H26N4O4S.C23H23N3O2S.2H2/c1-18(2)34-22-10-9-19(17-23(22)33-3)26(30)28-15-13-27(14-16-28)24-11-12-25(36(4,31)32)29(24)20-7-5-6-8-21(20)35-27;1-16-17(2)28-23-18(16)8-6-9-20(23)25(31)30-13-11-26(12-14-30)21-15-27-29(3)24(21)19-7-4-5-10-22(19)32-26;1-28-16-21-23(26-28)20-4-2-3-5-22(20)33-25(21)12-14-29(15-13-25)24(30)17-6-10-19(11-7-17)34(31,32)27-18-8-9-18;1-25-21-16-7-3-5-9-19(16)28-23(18(21)15-24-25)11-13-26(14-12-23)22(27)17-8-4-6-10-20(17)29-2;;/h5-12,17-18H,13-16H2,1-4H3;4-10,15,28H,11-14H2,1-3H3;2-7,10-11,16,18,27H,8-9,12-15H2,1H3;3-10,15H,11-14H2,1-2H3;2*1H
• InChIKey: RGMVCRQZKMXGTG-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 291.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1825.26
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen?

The IUPAC name of N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen (CID 160619380) is N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen.

What is the SMILES notation for N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen?

The canonical SMILES for N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen is COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c3ccc2S(C)(=O)=O)ccc1OC(C)C.CSc1ccccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.Cc1[nH]c2c(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)cccc2c1C.Cn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1.[H][H].[H][H].

What is the InChIKey of N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen?

The InChIKey is RGMVCRQZKMXGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6S.C26H26N4O2.C25H26N4O4S.C23H23N3O2S.2H2/c1-18(2)34-22-10-9-19(17-23(22)33-3)26(30)28-15-13-27(14-16-28)24-11-12-25(36(4,31)32)29(24)20-7-5-6-8-21(20)35-27;1-16-17(2)28-23-18(16)8-6-9-20(23)25(31)30-13-11-26(12-14-30)21-15-27-29(3)24(21)19-7-4-5-10-22(19)32-26;1-28-16-21-23(26-28)20-4-2-3-5-22(20)33-25(21)12-14-29(15-13-25)24(30)17-6-10-19(11-7-17)34(31,32)27-18-8-9-18;1-25-21-16-7-3-5-9-19(16)28-23(18(21)15-24-25)11-13-26(14-12-23)22(27)17-8-4-6-10-20(17)29-2;;/h5-12,17-18H,13-16H2,1-4H3;4-10,15,28H,11-14H2,1-3H3;2-7,10-11,16,18,27H,8-9,12-15H2,1H3;3-10,15H,11-14H2,1-2H3;2*1H.

What are the key properties of N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen?

N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen has a molecular weight of 1825.26 g/mol, XLogP of 16.79, 12 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;(2,3-dimethyl-1H-indol-7-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(3-methoxy-4-propan-2-yloxyphenyl)-(1'-methylsulfonylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-methylsulfanylphenyl)methanone;molecular hydrogen is sourced from PubChem (CID 160619380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).