(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen

C101H110ClN15O14S — CID 158626892

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
SMILESCCc1ccc(C(=O)N2CCC3(CC2)Oc2cc(C(=O)NC)ccc2-n2cccc23)cc1OC.CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1C(C)(C)CO.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1.[H][H].[H][H]
InChIInChI=1S/C27H31N3O4.C27H29N3O4.C24H26N4O4S.C23H20ClN5O2.2H2/c1-26(2,17-31)20-10-9-18(15-23(20)33-4)25(32)30-13-11-27(12-14-30)21-16-28-29(3)24(21)19-7-5-6-8-22(19)34-27;1-4-18-7-8-20(17-22(18)33-3)26(32)29-14-11-27(12-15-29)24-6-5-13-30(24)21-10-9-19(25(31)28-2)16-23(21)34-27;1-26(2)33(30,31)18-10-8-17(9-11-18)23(29)28-14-12-24(13-15-28)20-16-25-27(3)22(20)19-6-4-5-7-21(19)32-24;1-27-21-16-4-2-3-5-19(16)31-23(17(21)12-25-27)8-10-28(11-9-23)22(30)18-14-29-13-15(24)6-7-20(29)26-18;;/h5-10,15-16,31H,11-14,17H2,1-4H3;5-10,13,16-17H,4,11-12,14-15H2,1-3H3,(H,28,31);4-11,16H,12-15H2,1-3H3;2-7,12-14H,8-11H2,1H3;2*1H
InChIKeyHYSAEFITNQDBDI-UHFFFAOYSA-N
MW1825.60 g/mol
LogP15.09
Rot. Bonds12

About (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen

(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen (PubChem CID 158626892) has the molecular formula C101H110ClN15O14S and a molecular weight of 1825.60 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
PubChem CID158626892
Molecular FormulaC101H110ClN15O14S
Molecular Weight1825.60 g/mol
Exact Mass1823.78
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
SMILESCCc1ccc(C(=O)N2CCC3(CC2)Oc2cc(C(=O)NC)ccc2-n2cccc23)cc1OC.CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1C(C)(C)CO.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1.[H][H].[H][H]
InChIInChI=1S/C27H31N3O4.C27H29N3O4.C24H26N4O4S.C23H20ClN5O2.2H2/c1-26(2,17-31)20-10-9-18(15-23(20)33-4)25(32)30-13-11-27(12-14-30)21-16-28-29(3)24(21)19-7-5-6-8-22(19)34-27;1-4-18-7-8-20(17-22(18)33-3)26(32)29-14-11-27(12-15-29)24-6-5-13-30(24)21-10-9-19(25(31)28-2)16-23(21)34-27;1-26(2)33(30,31)18-10-8-17(9-11-18)23(29)28-14-12-24(13-15-28)20-16-25-27(3)22(20)19-6-4-5-7-21(19)32-24;1-27-21-16-4-2-3-5-19(16)31-23(17(21)12-25-27)8-10-28(11-9-23)22(30)18-14-29-13-15(24)6-7-20(29)26-18;;/h5-10,15-16,31H,11-14,17H2,1-4H3;5-10,13,16-17H,4,11-12,14-15H2,1-3H3,(H,28,31);4-11,16H,12-15H2,1-3H3;2-7,12-14H,8-11H2,1H3;2*1H
InChIKeyHYSAEFITNQDBDI-UHFFFAOYSA-N
XLogP15.09
TPSA299.02 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001825.60
LogP ≤ 515.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen 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
4-[3-Chloro-4-[2-(4-cyanoanilino)-9-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide;4-[4-[2-(4-cyanoanilino)-9-methylpurin-6-yl]oxy-3,5-dimethylphenyl]benzamide;4-[4-[2-(4-cyanoanilino)-9-methylpurin-6-yl]oxy-3,5-dimethylphenyl]benzenesulfonamide;6-[4-[2-(4-cyanoanilino)-7-methylpurin-6-yl]oxy-3,5-dimethylphenyl]pyridine-3-carboxamide;4-[[6-(2,6-dimethyl-4-pyridazin-4-ylphenoxy)-7-methylpurin-2-yl]amino]benzonitrile
CID 159355791
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;4-[(3-chloro-4-methylphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzenesulfonamide
CID 159538477

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen (CID 158626892) is (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen is CCc1ccc(C(=O)N2CCC3(CC2)Oc2cc(C(=O)NC)ccc2-n2cccc23)cc1OC.CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1C(C)(C)CO.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cn3cc(Cl)ccc3n2)CC1.[H][H].[H][H].
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?
The InChIKey is HYSAEFITNQDBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4.C27H29N3O4.C24H26N4O4S.C23H20ClN5O2.2H2/c1-26(2,17-31)20-10-9-18(15-23(20)33-4)25(32)30-13-11-27(12-14-30)21-16-28-29(3)24(21)19-7-5-6-8-22(19)34-27;1-4-18-7-8-20(17-22(18)33-3)26(32)29-14-11-27(12-15-29)24-6-5-13-30(24)21-10-9-19(25(31)28-2)16-23(21)34-27;1-26(2)33(30,31)18-10-8-17(9-11-18)23(29)28-14-12-24(13-15-28)20-16-25-27(3)22(20)19-6-4-5-7-21(19)32-24;1-27-21-16-4-2-3-5-19(16)31-23(17(21)12-25-27)8-10-28(11-9-23)22(30)18-14-29-13-15(24)6-7-20(29)26-18;;/h5-10,15-16,31H,11-14,17H2,1-4H3;5-10,13,16-17H,4,11-12,14-15H2,1-3H3,(H,28,31);4-11,16H,12-15H2,1-3H3;2-7,12-14H,8-11H2,1H3;2*1H.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen has a molecular weight of 1825.60 g/mol, XLogP of 15.09, 12 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,N-dimethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;1-(4-ethyl-3-methoxybenzoyl)-N-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen is sourced from PubChem (CID 158626892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).