N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C75H94N10O3S3 — CID 159129081

About N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 159129081) has the molecular formula C75H94N10O3S3 and a molecular weight of 1279.84 g/mol. Its IUPAC name is N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 159129081
• Molecular Formula: C75H94N10O3S3
• Molecular Weight: 1279.84 g/mol
• Exact Mass: 1278.67
• IUPAC Name: N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: C1CCC1.Cc1ccc2c(C)c(C(N)=O)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@]5(C)NCC[C@H]45)cc3)sc2n1.Cc1ccc2c(N)c(C(N)=O)sc2n1.c1cc(C2CCC2)ccc1C1CCCCC1.c1ccc(C2CCCCC2)cc1
• InChI: InChI=1S/C24H29N5OS.C16H22.C12H16.C10H10N2OS.C9H9N3OS.C4H8/c1-15-3-8-18-20(25)21(31-23(18)28-15)22(30)26-12-9-16-4-6-17(7-5-16)29-14-11-24(2)19(29)10-13-27-24;1-2-5-13(6-3-1)15-9-11-16(12-10-15)14-7-4-8-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-3-4-7-6(2)8(9(11)13)14-10(7)12-5;1-4-2-3-5-6(10)7(8(11)13)14-9(5)12-4;1-2-4-3-1/h3-8,19,27H,9-14,25H2,1-2H3,(H,26,30);9-14H,1-8H2;1,3-4,7-8,12H,2,5-6,9-10H2;3-4H,1-2H3,(H2,11,13);2-3H,10H2,1H3,(H2,11,13);1-4H2/t19-,24-;;;;;/m0...../s1
• InChIKey: KGQOHKLYJVUFEW-HLHNLARDSA-N
• XLogP: 17.08
• TPSA: 221.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1279.84
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 159129081) is N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is C1CCC1.Cc1ccc2c(C)c(C(N)=O)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@]5(C)NCC[C@H]45)cc3)sc2n1.Cc1ccc2c(N)c(C(N)=O)sc2n1.c1cc(C2CCC2)ccc1C1CCCCC1.c1ccc(C2CCCCC2)cc1.

What is the InChIKey of N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is KGQOHKLYJVUFEW-HLHNLARDSA-N. The full InChI is InChI=1S/C24H29N5OS.C16H22.C12H16.C10H10N2OS.C9H9N3OS.C4H8/c1-15-3-8-18-20(25)21(31-23(18)28-15)22(30)26-12-9-16-4-6-17(7-5-16)29-14-11-24(2)19(29)10-13-27-24;1-2-5-13(6-3-1)15-9-11-16(12-10-15)14-7-4-8-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-3-4-7-6(2)8(9(11)13)14-10(7)12-5;1-4-2-3-5-6(10)7(8(11)13)14-9(5)12-4;1-2-4-3-1/h3-8,19,27H,9-14,25H2,1-2H3,(H,26,30);9-14H,1-8H2;1,3-4,7-8,12H,2,5-6,9-10H2;3-4H,1-2H3,(H2,11,13);2-3H,10H2,1H3,(H2,11,13);1-4H2/t19-,24-;;;;;/m0...../s1.

What are the key properties of N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?

N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1279.84 g/mol, XLogP of 17.08, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(3aS,6aS)-6a-methyl-1,2,3,3a,5,6-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;cyclobutane;1-cyclobutyl-4-cyclohexylbenzene;cyclohexylbenzene;3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 159129081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).