3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate

C114H142F4N24O19S2 — CID 161357355

About 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate

3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate (PubChem CID 161357355) has the molecular formula C114H142F4N24O19S2 and a molecular weight of 2292.66 g/mol. Its IUPAC name is 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate
• PubChem CID: 161357355
• Molecular Formula: C114H142F4N24O19S2
• Molecular Weight: 2292.66 g/mol
• Exact Mass: 2291.03
• IUPAC Name: 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc3c(n2)OC[C@H](NC(=O)OCc2ccccc2)C3)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3c(cc2F)C[C@@H](N)CO3)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3c(cc2F)C[C@@H](NC(=O)OCc2ccccc2)CO3)CC1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)cc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CCNCC5)c(F)cc4C3)sc2n1
• InChI: InChI=1S/C26H31FN6O4S.C25H31FN4O5.C25H32N4O5.C21H23FN6O2S.C17H25FN4O3/c1-14-5-6-17-19(28)20(38-24(17)29-14)22(34)30-16-11-15-12-18(27)21(31-23(15)36-13-16)32-7-9-33(10-8-32)25(35)37-26(2,3)4;1-25(2,3)35-24(32)30-11-9-29(10-12-30)21-20(26)14-18-13-19(16-33-22(18)28-21)27-23(31)34-15-17-7-5-4-6-8-17;1-25(2,3)34-24(31)29-13-11-28(12-14-29)21-10-9-19-15-20(17-32-22(19)27-21)26-23(30)33-16-18-7-5-4-6-8-18;1-11-2-3-14-16(23)17(31-21(14)25-11)19(29)26-13-8-12-9-15(22)18(27-20(12)30-10-13)28-6-4-24-5-7-28;1-17(2,3)25-16(23)22-6-4-21(5-7-22)14-13(18)9-11-8-12(19)10-24-15(11)20-14/h5-6,12,16H,7-11,13,28H2,1-4H3,(H,30,34);4-8,14,19H,9-13,15-16H2,1-3H3,(H,27,31);4-10,20H,11-17H2,1-3H3,(H,26,30);2-3,9,13,24H,4-8,10,23H2,1H3,(H,26,29);9,12H,4-8,10,19H2,1-3H3/t16-;19-;20-;13-;12-/m11111/s1
• InChIKey: VOSGVOFRXHGAJN-GMISVPGRSA-N
• XLogP: 13.79
• TPSA: 495.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2292.66
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate?

The IUPAC name of 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate (CID 161357355) is 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate.

What is the SMILES notation for 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate?

The canonical SMILES for 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc3c(n2)OC[C@H](NC(=O)OCc2ccccc2)C3)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3c(cc2F)C[C@@H](N)CO3)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3c(cc2F)C[C@@H](NC(=O)OCc2ccccc2)CO3)CC1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)cc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CCNCC5)c(F)cc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate?

The InChIKey is VOSGVOFRXHGAJN-GMISVPGRSA-N. The full InChI is InChI=1S/C26H31FN6O4S.C25H31FN4O5.C25H32N4O5.C21H23FN6O2S.C17H25FN4O3/c1-14-5-6-17-19(28)20(38-24(17)29-14)22(34)30-16-11-15-12-18(27)21(31-23(15)36-13-16)32-7-9-33(10-8-32)25(35)37-26(2,3)4;1-25(2,3)35-24(32)30-11-9-29(10-12-30)21-20(26)14-18-13-19(16-33-22(18)28-21)27-23(31)34-15-17-7-5-4-6-8-17;1-25(2,3)34-24(31)29-13-11-28(12-14-29)21-10-9-19-15-20(17-32-22(19)27-21)26-23(30)33-16-18-7-5-4-6-8-18;1-11-2-3-14-16(23)17(31-21(14)25-11)19(29)26-13-8-12-9-15(22)18(27-20(12)30-10-13)28-6-4-24-5-7-28;1-17(2,3)25-16(23)22-6-4-21(5-7-22)14-13(18)9-11-8-12(19)10-24-15(11)20-14/h5-6,12,16H,7-11,13,28H2,1-4H3,(H,30,34);4-8,14,19H,9-13,15-16H2,1-3H3,(H,27,31);4-10,20H,11-17H2,1-3H3,(H,26,30);2-3,9,13,24H,4-8,10,23H2,1H3,(H,26,29);9,12H,4-8,10,19H2,1-3H3/t16-;19-;20-;13-;12-/m11111/s1.

What are the key properties of 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate?

3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate has a molecular weight of 2292.66 g/mol, XLogP of 13.79, 15 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[(3R)-3-amino-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-6-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 161357355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).