3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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

C105H129ClN22O17S2 — CID 162233573

About 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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 162233573) has the molecular formula C105H129ClN22O17S2 and a molecular weight of 2070.91 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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: 162233573
• Molecular Formula: C105H129ClN22O17S2
• Molecular Weight: 2070.91 g/mol
• Exact Mass: 2068.90
• IUPAC Name: 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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](N)C3)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(n2)OC[C@H](NC(=O)OCc2ccccc2)C3)CC1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CCNCC5)ccc4C3)sc2n1.O=C(N[C@H]1COc2nc(Cl)ccc2C1)OCc1ccccc1
• InChI: InChI=1S/C26H32N6O4S.C25H32N4O5.C21H24N6O2S.C17H26N4O3.C16H15ClN2O3/c1-15-5-7-18-20(27)21(37-24(18)28-15)22(33)29-17-13-16-6-8-19(30-23(16)35-14-17)31-9-11-32(12-10-31)25(34)36-26(2,3)4;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;1-12-2-4-15-17(22)18(30-21(15)24-12)19(28)25-14-10-13-3-5-16(26-20(13)29-11-14)27-8-6-23-7-9-27;1-17(2,3)24-16(22)21-8-6-20(7-9-21)14-5-4-12-10-13(18)11-23-15(12)19-14;17-14-7-6-12-8-13(10-21-15(12)19-14)18-16(20)22-9-11-4-2-1-3-5-11/h5-8,17H,9-14,27H2,1-4H3,(H,29,33);4-10,20H,11-17H2,1-3H3,(H,26,30);2-5,14,23H,6-11,22H2,1H3,(H,25,28);4-5,13H,6-11,18H2,1-3H3;1-7,13H,8-10H2,(H,18,20)/t17-;20-;14-;2*13-/m11111/s1
• InChIKey: ZVTMYLKVNSRMIC-WNGWYGGXSA-N
• XLogP: 12.83
• TPSA: 462.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2070.91
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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 162233573) is 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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](N)C3)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(n2)OC[C@H](NC(=O)OCc2ccccc2)C3)CC1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CCNCC5)ccc4C3)sc2n1.O=C(N[C@H]1COc2nc(Cl)ccc2C1)OCc1ccccc1.

What is the InChIKey of 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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 ZVTMYLKVNSRMIC-WNGWYGGXSA-N. The full InChI is InChI=1S/C26H32N6O4S.C25H32N4O5.C21H24N6O2S.C17H26N4O3.C16H15ClN2O3/c1-15-5-7-18-20(27)21(37-24(18)28-15)22(33)29-17-13-16-6-8-19(30-23(16)35-14-17)31-9-11-32(12-10-31)25(34)36-26(2,3)4;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;1-12-2-4-15-17(22)18(30-21(15)24-12)19(28)25-14-10-13-3-5-16(26-20(13)29-11-14)27-8-6-23-7-9-27;1-17(2,3)24-16(22)21-8-6-20(7-9-21)14-5-4-12-10-13(18)11-23-15(12)19-14;17-14-7-6-12-8-13(10-21-15(12)19-14)18-16(20)22-9-11-4-2-1-3-5-11/h5-8,17H,9-14,27H2,1-4H3,(H,29,33);4-10,20H,11-17H2,1-3H3,(H,26,30);2-5,14,23H,6-11,22H2,1H3,(H,25,28);4-5,13H,6-11,18H2,1-3H3;1-7,13H,8-10H2,(H,18,20)/t17-;20-;14-;2*13-/m11111/s1.

What are the key properties of 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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 2070.91 g/mol, XLogP of 12.83, 14 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-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]-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 162233573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).