N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane

C75H111Cl3N16O14S3 — CID 158870619

About N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane

N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane (PubChem CID 158870619) has the molecular formula C75H111Cl3N16O14S3 and a molecular weight of 1663.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane
• PubChem CID: 158870619
• Molecular Formula: C75H111Cl3N16O14S3
• Molecular Weight: 1663.37 g/mol
• Exact Mass: 1660.67
• IUPAC Name: N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane
• SMILES: C.C.C.C.C.C.CN(c1ccccc1N)S(C)(=O)=O.CN(c1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1c(=O)n(C)n2C1CCCCO1)S(C)(=O)=O.CN(c1ccccc1Nc1cc(Cl)nc2c1c(=O)n(C)n2C1CCCCO1)S(C)(=O)=O.Cn1c(=O)c2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
• InChI: InChI=1S/C25H31N5O5S.C20H24ClN5O4S.C12H13Cl2N3O2.C8H12N2O2S.C4H7NO.6CH4/c1-28-25(32)23-19(27-18-8-4-5-9-20(18)29(2)36(3,33)34)14-17(15-21(31)16-11-12-16)26-24(23)30(28)22-10-6-7-13-35-22;1-24-20(27)18-14(22-13-8-4-5-9-15(13)25(2)31(3,28)29)12-16(21)23-19(18)26(24)17-10-6-7-11-30-17;1-16-12(18)10-7(13)6-8(14)15-11(10)17(16)9-4-2-3-5-19-9;1-10(13(2,11)12)8-6-4-3-5-7(8)9;5-4(6)3-1-2-3;;;;;;/h4-5,8-9,14,16,22H,6-7,10-13,15H2,1-3H3,(H,26,27);4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H,22,23);6,9H,2-5H2,1H3;3-6H,9H2,1-2H3;3H,1-2H2,(H2,5,6);6*1H4
• InChIKey: JBUJDUFTLTXCCL-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 369.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1663.37
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane?

The IUPAC name of N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane (CID 158870619) is N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane.

What is the SMILES notation for N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane?

The canonical SMILES for N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane is C.C.C.C.C.C.CN(c1ccccc1N)S(C)(=O)=O.CN(c1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1c(=O)n(C)n2C1CCCCO1)S(C)(=O)=O.CN(c1ccccc1Nc1cc(Cl)nc2c1c(=O)n(C)n2C1CCCCO1)S(C)(=O)=O.Cn1c(=O)c2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.

What is the InChIKey of N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane?

The InChIKey is JBUJDUFTLTXCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5S.C20H24ClN5O4S.C12H13Cl2N3O2.C8H12N2O2S.C4H7NO.6CH4/c1-28-25(32)23-19(27-18-8-4-5-9-20(18)29(2)36(3,33)34)14-17(15-21(31)16-11-12-16)26-24(23)30(28)22-10-6-7-13-35-22;1-24-20(27)18-14(22-13-8-4-5-9-15(13)25(2)31(3,28)29)12-16(21)23-19(18)26(24)17-10-6-7-11-30-17;1-16-12(18)10-7(13)6-8(14)15-11(10)17(16)9-4-2-3-5-19-9;1-10(13(2,11)12)8-6-4-3-5-7(8)9;5-4(6)3-1-2-3;;;;;;/h4-5,8-9,14,16,22H,6-7,10-13,15H2,1-3H3,(H,26,27);4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H,22,23);6,9H,2-5H2,1H3;3-6H,9H2,1-2H3;3H,1-2H2,(H2,5,6);6*1H4.

What are the key properties of N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane?

N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane has a molecular weight of 1663.37 g/mol, XLogP of 13.43, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;methane is sourced from PubChem (CID 158870619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).