(3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone

C97H94N14O15S — CID 157352163

IUPAC(3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)ccc1OC.COC(=O)c1c(OC)cccc1C(=O)N1CCC2(CC1)Oc1ccccc1-n1c(C#N)ccc12.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccn3ccnc23)CC1
InChIInChI=1S/C26H23N3O5.C25H27N3O4.C23H21N5O2.C23H23N3O4S/c1-32-21-9-5-6-18(23(21)25(31)33-2)24(30)28-14-12-26(13-15-28)22-11-10-17(16-27)29(22)19-7-3-4-8-20(19)34-26;1-4-31-22-15-17(9-10-21(22)30-3)24(29)28-13-11-25(12-14-28)19-16-27(2)26-23(19)18-7-5-6-8-20(18)32-25;1-26-20-16-5-2-3-7-19(16)30-23(18(20)15-25-26)8-12-28(13-9-23)22(29)17-6-4-11-27-14-10-24-21(17)27;1-25-21-18-8-3-4-9-20(18)30-23(19(21)15-24-25)10-12-26(13-11-23)22(27)16-6-5-7-17(14-16)31(2,28)29/h3-11H,12-15H2,1-2H3;5-10,15-16H,4,11-14H2,1-3H3;2-7,10-11,14-15H,8-9,12-13H2,1H3;3-9,14-15H,10-13H2,1-2H3
InChIKeyBHQWOEVERYKUTI-UHFFFAOYSA-N
MW1727.97 g/mol
LogP13.96
Rot. Bonds10

About (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone

(3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone (PubChem CID 157352163) has the molecular formula C97H94N14O15S and a molecular weight of 1727.97 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone
PubChem CID157352163
Molecular FormulaC97H94N14O15S
Molecular Weight1727.97 g/mol
Exact Mass1726.67
IUPAC Name(3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)ccc1OC.COC(=O)c1c(OC)cccc1C(=O)N1CCC2(CC1)Oc1ccccc1-n1c(C#N)ccc12.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccn3ccnc23)CC1
InChIInChI=1S/C26H23N3O5.C25H27N3O4.C23H21N5O2.C23H23N3O4S/c1-32-21-9-5-6-18(23(21)25(31)33-2)24(30)28-14-12-26(13-15-28)22-11-10-17(16-27)29(22)19-7-3-4-8-20(19)34-26;1-4-31-22-15-17(9-10-21(22)30-3)24(29)28-13-11-25(12-14-28)19-16-27(2)26-23(19)18-7-5-6-8-20(18)32-25;1-26-20-16-5-2-3-7-19(16)30-23(18(20)15-25-26)8-12-28(13-9-23)22(29)17-6-4-11-27-14-10-24-21(17)27;1-25-21-18-8-3-4-9-20(18)30-23(19(21)15-24-25)10-12-26(13-11-23)22(27)16-6-5-7-17(14-16)31(2,28)29/h3-11H,12-15H2,1-2H3;5-10,15-16H,4,11-14H2,1-3H3;2-7,10-11,14-15H,8-9,12-13H2,1H3;3-9,14-15H,10-13H2,1-2H3
InChIKeyBHQWOEVERYKUTI-UHFFFAOYSA-N
XLogP13.96
TPSA305.77 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.97
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone with MolForge

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Related Compounds

N-ethyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;imidazo[1,2-a]pyridin-2-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-[2-(2,2,2-trifluoroethyl)spiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 160712001
(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
1-(2-fluoro-4-propan-2-yloxybenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(3-methoxy-4-propan-2-yloxyphenyl)-spiro[imidazo[2,1-c][1,4]benzoxazine-4,4'-piperidine]-1'-ylmethanone;(1-methylindol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N-[2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)phenyl]methanesulfonamide;molecular hydrogen
CID 158045024
1-(3-Fluoro-4-propan-2-yloxybenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(4-methoxy-3-methylsulfonylphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methylbenzimidazol-4-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)-5-propan-2-yloxybenzonitrile
CID 159437906

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone?
The IUPAC name of (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone (CID 157352163) is (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone is CCOc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)ccc1OC.COC(=O)c1c(OC)cccc1C(=O)N1CCC2(CC1)Oc1ccccc1-n1c(C#N)ccc12.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccn3ccnc23)CC1.
What is the InChIKey of (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone?
The InChIKey is BHQWOEVERYKUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5.C25H27N3O4.C23H21N5O2.C23H23N3O4S/c1-32-21-9-5-6-18(23(21)25(31)33-2)24(30)28-14-12-26(13-15-28)22-11-10-17(16-27)29(22)19-7-3-4-8-20(19)34-26;1-4-31-22-15-17(9-10-21(22)30-3)24(29)28-13-11-25(12-14-28)19-16-27(2)26-23(19)18-7-5-6-8-20(18)32-25;1-26-20-16-5-2-3-7-19(16)30-23(18(20)15-25-26)8-12-28(13-9-23)22(29)17-6-4-11-27-14-10-24-21(17)27;1-25-21-18-8-3-4-9-20(18)30-23(19(21)15-24-25)10-12-26(13-11-23)22(27)16-6-5-7-17(14-16)31(2,28)29/h3-11H,12-15H2,1-2H3;5-10,15-16H,4,11-14H2,1-3H3;2-7,10-11,14-15H,8-9,12-13H2,1H3;3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone?
(3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone has a molecular weight of 1727.97 g/mol, XLogP of 13.96, 10 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methoxyphenyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;imidazo[1,2-a]pyridin-8-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;methyl 2-(1'-cyanospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-6-methoxybenzoate;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 157352163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).