acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane

C101H131BrN18O9S4 — CID 157085720

About acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane

acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane (PubChem CID 157085720) has the molecular formula C101H131BrN18O9S4 and a molecular weight of 1949.45 g/mol. Its IUPAC name is acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane.

Molecular Properties

• Compound Name: acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane
• PubChem CID: 157085720
• Molecular Formula: C101H131BrN18O9S4
• Molecular Weight: 1949.45 g/mol
• Exact Mass: 1946.84
• IUPAC Name: acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane
• SMILES: C.CC(C)(C)OC(=O)C[C@@H]1CCNC1.CC=O.CCC[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(Br)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](N)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](NC(=O)OC(C)(C)C)C4)cc3)sc2n1
• InChI: InChI=1S/C26H33N5O3S.C24H30N4OS.C21H25N5OS.C17H16BrN3OS.C10H19NO2.C2H4O.CH4/c1-16-5-10-20-21(27)22(35-24(20)29-16)23(32)28-13-11-17-6-8-19(9-7-17)31-14-12-18(15-31)30-25(33)34-26(2,3)4;1-3-4-18-12-14-28(15-18)19-8-6-17(7-9-19)11-13-26-23(29)22-21(25)20-10-5-16(2)27-24(20)30-22;1-13-2-7-17-18(23)19(28-21(17)25-13)20(27)24-10-8-14-3-5-16(6-4-14)26-11-9-15(22)12-26;1-10-2-7-13-14(19)15(23-17(13)21-10)16(22)20-9-8-11-3-5-12(18)6-4-11;1-10(2,3)13-9(12)6-8-4-5-11-7-8;1-2-3;/h5-10,18H,11-15,27H2,1-4H3,(H,28,32)(H,30,33);5-10,18H,3-4,11-15,25H2,1-2H3,(H,26,29);2-7,15H,8-12,22-23H2,1H3,(H,24,27);2-7H,8-9,19H2,1H3,(H,20,22);8,11H,4-7H2,1-3H3;2H,1H3;1H4/t2*18-;15-;;8-;;/m111.0../s1
• InChIKey: AEBHXMUAVDBSHG-JDUFJBKKSA-N
• XLogP: 17.84
• TPSA: 401.51 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1949.45
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane?

The IUPAC name of acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane (CID 157085720) is acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane.

What is the SMILES notation for acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane?

The canonical SMILES for acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane is C.CC(C)(C)OC(=O)C[C@@H]1CCNC1.CC=O.CCC[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2)C1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(Br)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](N)C4)cc3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](NC(=O)OC(C)(C)C)C4)cc3)sc2n1.

What is the InChIKey of acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane?

The InChIKey is AEBHXMUAVDBSHG-JDUFJBKKSA-N. The full InChI is InChI=1S/C26H33N5O3S.C24H30N4OS.C21H25N5OS.C17H16BrN3OS.C10H19NO2.C2H4O.CH4/c1-16-5-10-20-21(27)22(35-24(20)29-16)23(32)28-13-11-17-6-8-19(9-7-17)31-14-12-18(15-31)30-25(33)34-26(2,3)4;1-3-4-18-12-14-28(15-18)19-8-6-17(7-9-19)11-13-26-23(29)22-21(25)20-10-5-16(2)27-24(20)30-22;1-13-2-7-17-18(23)19(28-21(17)25-13)20(27)24-10-8-14-3-5-16(6-4-14)26-11-9-15(22)12-26;1-10-2-7-13-14(19)15(23-17(13)21-10)16(22)20-9-8-11-3-5-12(18)6-4-11;1-10(2,3)13-9(12)6-8-4-5-11-7-8;1-2-3;/h5-10,18H,11-15,27H2,1-4H3,(H,28,32)(H,30,33);5-10,18H,3-4,11-15,25H2,1-2H3,(H,26,29);2-7,15H,8-12,22-23H2,1H3,(H,24,27);2-7H,8-9,19H2,1H3,(H,20,22);8,11H,4-7H2,1-3H3;2H,1H3;1H4/t2*18-;15-;;8-;;/m111.0../s1.

What are the key properties of acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane?

acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane has a molecular weight of 1949.45 g/mol, XLogP of 17.84, 24 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;3-amino-N-[2-[4-[(3R)-3-aminopyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(4-bromophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-[(3R)-3-propylpyrrolidin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl N-[(3R)-1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]pyrrolidin-3-yl]carbamate;tert-butyl 2-[(3S)-pyrrolidin-3-yl]acetate;methane is sourced from PubChem (CID 157085720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).