tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane

C56H65N11O8S2 — CID 158994826

IUPACtert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane
SMILESC.C.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)cn23)c1
InChIInChI=1S/C29H32N6O5S.C25H25N5O3S.2CH4/c1-18-5-6-19(27(36)32-21-7-8-21)11-24(18)20-12-31-35(14-20)26-13-30-25-10-9-22(17-34(25)26)41(38,39)23-15-33(16-23)28(37)40-29(2,3)4;1-16-5-6-17(25(31)28-19-7-8-19)11-22(16)18-12-27-30(14-18)24-13-26-23-10-9-21(15-29(23)24)34(32,33)20-3-2-4-20;;/h5-6,9-14,17,21,23H,7-8,15-16H2,1-4H3,(H,32,36);5-6,9-15,19-20H,2-4,7-8H2,1H3,(H,28,31);2*1H4
InChIKeyJQPKWDOKKUOCMO-UHFFFAOYSA-N
MW1084.34 g/mol
LogP8.77
Rot. Bonds12

About tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane

tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane (PubChem CID 158994826) has the molecular formula C56H65N11O8S2 and a molecular weight of 1084.34 g/mol. Its IUPAC name is tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane.

Molecular Properties

Compound Nametert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane
PubChem CID158994826
Molecular FormulaC56H65N11O8S2
Molecular Weight1084.34 g/mol
Exact Mass1083.45
IUPAC Nametert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane
SMILESC.C.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)cn23)c1
InChIInChI=1S/C29H32N6O5S.C25H25N5O3S.2CH4/c1-18-5-6-19(27(36)32-21-7-8-21)11-24(18)20-12-31-35(14-20)26-13-30-25-10-9-22(17-34(25)26)41(38,39)23-15-33(16-23)28(37)40-29(2,3)4;1-16-5-6-17(25(31)28-19-7-8-19)11-22(16)18-12-27-30(14-18)24-13-26-23-10-9-21(15-29(23)24)34(32,33)20-3-2-4-20;;/h5-6,9-14,17,21,23H,7-8,15-16H2,1-4H3,(H,32,36);5-6,9-15,19-20H,2-4,7-8H2,1H3,(H,28,31);2*1H4
InChIKeyJQPKWDOKKUOCMO-UHFFFAOYSA-N
XLogP8.77
TPSA226.26 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.34
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10138241, Example 33
CID 134328591
US10138241, Example 20
CID 134328438
US10138241, Example 79
CID 134328441
US10138241, Example 19
CID 134328476
US10138241, Example 38
CID 134328485
US10138241, Example 80
CID 134328488
US10138241, Example 27
CID 134328521
US10138241, Example 23
CID 134328532
US10138241, Example 77
CID 134328563
N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 155015438
5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 155015519
tert-butyl 3-((3-(4-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1H-pyrazol-1-yl)imidazo[1,2-a]pyridin-6-yl)sulfonyl)azetidine-1-carboxylate
CID 134328406

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane?
The IUPAC name of tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane (CID 158994826) is tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane.
What is the SMILES notation for tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane?
The canonical SMILES for tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane is C.C.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCC4)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CN(C(=O)OC(C)(C)C)C4)cn23)c1.
What is the InChIKey of tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane?
The InChIKey is JQPKWDOKKUOCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O5S.C25H25N5O3S.2CH4/c1-18-5-6-19(27(36)32-21-7-8-21)11-24(18)20-12-31-35(14-20)26-13-30-25-10-9-22(17-34(25)26)41(38,39)23-15-33(16-23)28(37)40-29(2,3)4;1-16-5-6-17(25(31)28-19-7-8-19)11-22(16)18-12-27-30(14-18)24-13-26-23-10-9-21(15-29(23)24)34(32,33)20-3-2-4-20;;/h5-6,9-14,17,21,23H,7-8,15-16H2,1-4H3,(H,32,36);5-6,9-15,19-20H,2-4,7-8H2,1H3,(H,28,31);2*1H4.
What are the key properties of tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane?
tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane has a molecular weight of 1084.34 g/mol, XLogP of 8.77, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridin-6-yl]sulfonylazetidine-1-carboxylate;3-[1-(6-cyclobutylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;methane is sourced from PubChem (CID 158994826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).