3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane

C73H91F6N15O8S3 — CID 159809400

About 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane

3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane (PubChem CID 159809400) has the molecular formula C73H91F6N15O8S3 and a molecular weight of 1516.82 g/mol. Its IUPAC name is 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane.

Molecular Properties

• Compound Name: 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane
• PubChem CID: 159809400
• Molecular Formula: C73H91F6N15O8S3
• Molecular Weight: 1516.82 g/mol
• Exact Mass: 1515.62
• IUPAC Name: 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane
• SMILES: C.CC(C)(C)OC=O.CNC1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CC(N(C)C(=O)OC(C)(C)C)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.NCCc1cc(F)c(N2CC(N)C2)cc1F
• InChI: InChI=1S/C26H31F2N5O3S.C21H23F2N5OS.C11H15F2N3.C9H8N2O2S.C5H10O2.CH4/c1-14-6-7-17-21(29)22(37-24(17)31-14)23(34)30-9-8-15-10-19(28)20(11-18(15)27)33-12-16(13-33)32(5)25(35)36-26(2,3)4;1-11-3-4-14-18(24)19(30-21(14)27-11)20(29)26-6-5-12-7-16(23)17(8-15(12)22)28-9-13(10-28)25-2;12-9-4-11(16-5-8(15)6-16)10(13)3-7(9)1-2-14;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4;1-5(2,3)7-4-6;/h6-7,10-11,16H,8-9,12-13,29H2,1-5H3,(H,30,34);3-4,7-8,13,25H,5-6,9-10,24H2,1-2H3,(H,26,29);3-4,8H,1-2,5-6,14-15H2;2-3H,10H2,1H3,(H,12,13);4H,1-3H3;1H4
• InChIKey: NKVFDADXOCNZFM-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 341.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1516.82
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane?

The IUPAC name of 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane (CID 159809400) is 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane.

What is the SMILES notation for 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane?

The canonical SMILES for 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane is C.CC(C)(C)OC=O.CNC1CN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CC(N(C)C(=O)OC(C)(C)C)C4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.NCCc1cc(F)c(N2CC(N)C2)cc1F.

What is the InChIKey of 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane?

The InChIKey is NKVFDADXOCNZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O3S.C21H23F2N5OS.C11H15F2N3.C9H8N2O2S.C5H10O2.CH4/c1-14-6-7-17-21(29)22(37-24(17)31-14)23(34)30-9-8-15-10-19(28)20(11-18(15)27)33-12-16(13-33)32(5)25(35)36-26(2,3)4;1-11-3-4-14-18(24)19(30-21(14)27-11)20(29)26-6-5-12-7-16(23)17(8-15(12)22)28-9-13(10-28)25-2;12-9-4-11(16-5-8(15)6-16)10(13)3-7(9)1-2-14;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4;1-5(2,3)7-4-6;/h6-7,10-11,16H,8-9,12-13,29H2,1-5H3,(H,30,34);3-4,7-8,13,25H,5-6,9-10,24H2,1-2H3,(H,26,29);3-4,8H,1-2,5-6,14-15H2;2-3H,10H2,1H3,(H,12,13);4H,1-3H3;1H4.

What are the key properties of 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane?

3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane has a molecular weight of 1516.82 g/mol, XLogP of 11.43, 17 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[2,5-difluoro-4-[3-(methylamino)azetidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;1-[4-(2-aminoethyl)-2,5-difluorophenyl]azetidin-3-amine;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl N-[1-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]azetidin-3-yl]-N-methylcarbamate;tert-butyl formate;methane is sourced from PubChem (CID 159809400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).