3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate

C152H184N30O21S6 — CID 158066552

About 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate

3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate (PubChem CID 158066552) has the molecular formula C152H184N30O21S6 and a molecular weight of 2959.73 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate
• PubChem CID: 158066552
• Molecular Formula: C152H184N30O21S6
• Molecular Weight: 2959.73 g/mol
• Exact Mass: 2957.26
• IUPAC Name: 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)OCC(N)C3)CC1.Cc1ccc2c(N)c(C(=O)NC3COc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCNCC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1
• InChI: InChI=1S/3C27H33N5O4S.2C22H25N5O2S.C18H27N3O3.C9H8N2O2S/c3*1-16-5-8-20-22(28)23(37-25(20)29-16)24(33)30-18-13-17-6-7-19(14-21(17)35-15-18)31-9-11-32(12-10-31)26(34)36-27(2,3)4;2*1-13-2-5-17-19(23)20(30-22(17)25-13)21(28)26-15-10-14-3-4-16(11-18(14)29-12-15)27-8-6-24-7-9-27;1-18(2,3)24-17(22)21-8-6-20(7-9-21)15-5-4-13-10-14(19)12-23-16(13)11-15;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h3*5-8,14,18H,9-13,15,28H2,1-4H3,(H,30,33);2*2-5,11,15,24H,6-10,12,23H2,1H3,(H,26,28);4-5,11,14H,6-10,12,19H2,1-3H3;2-3H,10H2,1H3,(H,12,13)/t2*18-;;2*15-;;/m10.10../s1
• InChIKey: FLHJNURYSNXXHM-BRPDKFCESA-N
• XLogP: 20.48
• TPSA: 659.32 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 47
• Rotatable Bonds: 17
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2959.73
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate?

The IUPAC name of 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate (CID 158066552) is 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-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-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate?

The canonical SMILES for 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)OCC(N)C3)CC1.Cc1ccc2c(N)c(C(=O)NC3COc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCNCC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.

What is the InChIKey of 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate?

The InChIKey is FLHJNURYSNXXHM-BRPDKFCESA-N. The full InChI is InChI=1S/3C27H33N5O4S.2C22H25N5O2S.C18H27N3O3.C9H8N2O2S/c3*1-16-5-8-20-22(28)23(37-25(20)29-16)24(33)30-18-13-17-6-7-19(14-21(17)35-15-18)31-9-11-32(12-10-31)26(34)36-27(2,3)4;2*1-13-2-5-17-19(23)20(30-22(17)25-13)21(28)26-15-10-14-3-4-16(11-18(14)29-12-15)27-8-6-24-7-9-27;1-18(2,3)24-17(22)21-8-6-20(7-9-21)15-5-4-13-10-14(19)12-23-16(13)11-15;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h3*5-8,14,18H,9-13,15,28H2,1-4H3,(H,30,33);2*2-5,11,15,24H,6-10,12,23H2,1H3,(H,26,28);4-5,11,14H,6-10,12,19H2,1-3H3;2-3H,10H2,1H3,(H,12,13)/t2*18-;;2*15-;;/m10.10../s1.

What are the key properties of 3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate?

3-amino-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate has a molecular weight of 2959.73 g/mol, XLogP of 20.48, 17 rotatable bonds, 15 hydrogen bond donors, and 47 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-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[(3S)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-(3-amino-3,4-dihydro-2H-chromen-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-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 158066552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).