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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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

C130H157ClF4N26O22S2 — CID 167597726

IUPAC3-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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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
SMILESCC(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.O=C(N[C@H]1COc2nc(Cl)ccc2C1)OCc1ccccc1
InChIInChI=1S/C26H31FN6O4S.C25H31FN4O5.C25H32N4O5.C21H23FN6O2S.C17H25FN4O3.C16H15ClN2O3/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;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/h5-6,12,16H,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;1-7,13H,8-10H2,(H,18,20)/t16-;19-;20-;13-;12-;13-/m111111/s1
InChIKeyJHSARMPTKVNLLF-KWVZEJBBSA-N
MW2611.42 g/mol
LogP16.76
Rot. Bonds18

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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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 167597726) has the molecular formula C130H157ClF4N26O22S2 and a molecular weight of 2611.42 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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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 Name3-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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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 CID167597726
Molecular FormulaC130H157ClF4N26O22S2
Molecular Weight2611.42 g/mol
Exact Mass2609.10
IUPAC Name3-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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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
SMILESCC(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.O=C(N[C@H]1COc2nc(Cl)ccc2C1)OCc1ccccc1
InChIInChI=1S/C26H31FN6O4S.C25H31FN4O5.C25H32N4O5.C21H23FN6O2S.C17H25FN4O3.C16H15ClN2O3/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;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/h5-6,12,16H,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;1-7,13H,8-10H2,(H,18,20)/t16-;19-;20-;13-;12-;13-/m111111/s1
InChIKeyJHSARMPTKVNLLF-KWVZEJBBSA-N
XLogP16.76
TPSA556.14 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds18
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.42
LogP ≤ 516.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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 with MolForge

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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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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 167597726) 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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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.O=C(N[C@H]1COc2nc(Cl)ccc2C1)OCc1ccccc1.
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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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 JHSARMPTKVNLLF-KWVZEJBBSA-N. The full InChI is InChI=1S/C26H31FN6O4S.C25H31FN4O5.C25H32N4O5.C21H23FN6O2S.C17H25FN4O3.C16H15ClN2O3/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;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/h5-6,12,16H,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;1-7,13H,8-10H2,(H,18,20)/t16-;19-;20-;13-;12-;13-/m111111/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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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 2611.42 g/mol, XLogP of 16.76, 18 rotatable bonds, 9 hydrogen bond donors, and 41 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;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]carbamate;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 167597726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).