3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C115H125F8N23O13S3 — CID 167707489

About 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 167707489) has the molecular formula C115H125F8N23O13S3 and a molecular weight of 2285.60 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• PubChem CID: 167707489
• Molecular Formula: C115H125F8N23O13S3
• Molecular Weight: 2285.60 g/mol
• Exact Mass: 2283.89
• IUPAC Name: 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• SMILES: CCn1ccc2cc(C(=O)N[C@H]3COc4c(F)c([C@@H]5CCNC[C@@H]5O)cc(F)c4C3)nnc21.CCn1ccc2cc(C(=O)N[C@H]3COc4c(F)c([C@H]5CCNC[C@H]5O)cc(F)c4C3)nnc21.CO[C@@H]1CN(c2cc(F)c3c(c2F)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@@H]5CCNC[C@@H]5F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@H]5CCNC[C@H]5F)ccc4C3)sc2n1
• InChI: InChI=1S/C23H25F2N5O3S.2C23H25F2N5O3.2C23H25FN4O2S/c1-10-3-4-12-19(27)21(34-23(12)28-10)22(31)29-11-5-13-14(24)6-16(18(25)20(13)33-9-11)30-7-15(26)17(8-30)32-2;2*1-2-30-6-4-12-7-18(28-29-22(12)30)23(32)27-13-8-16-17(24)9-15(20(25)21(16)33-11-13)14-3-5-26-10-19(14)31;2*1-12-2-5-17-20(25)21(31-23(17)27-12)22(29)28-15-8-14-4-3-13(9-19(14)30-11-15)16-6-7-26-10-18(16)24/h3-4,6,11,15,17H,5,7-9,26-27H2,1-2H3,(H,29,31);2*4,6-7,9,13-14,19,26,31H,2-3,5,8,10-11H2,1H3,(H,27,32);2*2-5,9,15-16,18,26H,6-8,10-11,25H2,1H3,(H,28,29)/t11-,15-,17-;13-,14+,19+;13-,14-,19-;15-,16+,18+;15-,16-,18-/m11111/s1
• InChIKey: ZHYSZJMCEYYVKU-FIDNEZJMSA-N
• XLogP: 12.83
• TPSA: 496.87 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2285.60
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 167707489) is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3COc4c(F)c([C@@H]5CCNC[C@@H]5O)cc(F)c4C3)nnc21.CCn1ccc2cc(C(=O)N[C@H]3COc4c(F)c([C@H]5CCNC[C@H]5O)cc(F)c4C3)nnc21.CO[C@@H]1CN(c2cc(F)c3c(c2F)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@@H]5CCNC[C@@H]5F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc([C@H]5CCNC[C@H]5F)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The InChIKey is ZHYSZJMCEYYVKU-FIDNEZJMSA-N. The full InChI is InChI=1S/C23H25F2N5O3S.2C23H25F2N5O3.2C23H25FN4O2S/c1-10-3-4-12-19(27)21(34-23(12)28-10)22(31)29-11-5-13-14(24)6-16(18(25)20(13)33-9-11)30-7-15(26)17(8-30)32-2;2*1-2-30-6-4-12-7-18(28-29-22(12)30)23(32)27-13-8-16-17(24)9-15(20(25)21(16)33-11-13)14-3-5-26-10-19(14)31;2*1-12-2-5-17-20(25)21(31-23(17)27-12)22(29)28-15-8-14-4-3-13(9-19(14)30-11-15)16-6-7-26-10-18(16)24/h3-4,6,11,15,17H,5,7-9,26-27H2,1-2H3,(H,29,31);2*4,6-7,9,13-14,19,26,31H,2-3,5,8,10-11H2,1H3,(H,27,32);2*2-5,9,15-16,18,26H,6-8,10-11,25H2,1H3,(H,28,29)/t11-,15-,17-;13-,14+,19+;13-,14-,19-;15-,16+,18+;15-,16-,18-/m11111/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 2285.60 g/mol, XLogP of 12.83, 18 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4R)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-fluoropiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-5,8-difluoro-7-[(3S,4R)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide;N-[(3R)-5,8-difluoro-7-[(3R,4S)-3-hydroxypiperidin-4-yl]-3,4-dihydro-2H-chromen-3-yl]-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 167707489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).