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

C105H129ClN22O17S2 — CID 167665348

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

3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]piperazine-1-carboxylate (PubChem CID 167665348) 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[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]piperazine-1-carboxylate
• PubChem CID: 167665348
• 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[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]piperazine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2cc3c(cn2)C[C@@H](N)CO3)CC1.CC(C)(C)OC(=O)N1CCN(c2cc3c(cn2)C[C@@H](NC(=O)OCc2ccccc2)CO3)CC1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)sc2n1.O=C(N[C@H]1COc2cc(Cl)ncc2C1)OCc1ccccc1
• InChI: InChI=1S/C26H32N6O4S.C25H32N4O5.C21H24N6O2S.C17H26N4O3.C16H15ClN2O3/c1-15-5-6-18-21(27)22(37-24(18)29-15)23(33)30-17-11-16-13-28-20(12-19(16)35-14-17)31-7-9-32(10-8-31)25(34)36-26(2,3)4;1-25(2,3)34-24(31)29-11-9-28(10-12-29)22-14-21-19(15-26-22)13-20(17-32-21)27-23(30)33-16-18-7-5-4-6-8-18;1-12-2-3-15-18(22)19(30-21(15)25-12)20(28)26-14-8-13-10-24-17(9-16(13)29-11-14)27-6-4-23-5-7-27;1-17(2,3)24-16(22)21-6-4-20(5-7-21)15-9-14-12(10-19-15)8-13(18)11-23-14;17-15-7-14-12(8-18-15)6-13(10-21-14)19-16(20)22-9-11-4-2-1-3-5-11/h5-6,12-13,17H,7-11,14,27H2,1-4H3,(H,30,33);4-8,14-15,20H,9-13,16-17H2,1-3H3,(H,27,30);2-3,9-10,14,23H,4-8,11,22H2,1H3,(H,26,28);9-10,13H,4-8,11,18H2,1-3H3;1-5,7-8,13H,6,9-10H2,(H,19,20)/t17-;20-;14-;2*13-/m11111/s1
• InChIKey: SOCVWVKWOAUUDR-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[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]piperazine-1-carboxylate (CID 167665348) is 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc3c(cn2)C[C@@H](N)CO3)CC1.CC(C)(C)OC(=O)N1CCN(c2cc3c(cn2)C[C@@H](NC(=O)OCc2ccccc2)CO3)CC1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ncc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)sc2n1.O=C(N[C@H]1COc2cc(Cl)ncc2C1)OCc1ccccc1.

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

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

3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[3,2-c]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[3,2-c]pyridin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 167665348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).