N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide

C114H105F3N20O13S4 — CID 159636072

IUPACN,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)c(F)c3)ccc21.CC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21.CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2ncns2)cc1F.Cc1nnc(NC(=O)C(C)(C)[C@H]2c3ccccc3Oc3nc(-c4ccc(C(=O)N(C)C)cc4)ccc32)s1
InChIInChI=1S/C29H26FN5O4S.C29H26FN5O3S.C28H26FN5O3S.C28H27N5O3S/c1-29(2,27(37)34-28-31-16-32-40-28)24-19-5-3-4-6-23(19)39-25-20(24)9-10-22(33-25)17-7-8-18(21(30)15-17)26(36)35-11-13-38-14-12-35;1-29(2,27(37)34-28-31-16-32-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(33-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35;1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)32-21)28(2,3)26(36)33-27-30-15-31-38-27;1-16-31-32-27(37-16)30-26(35)28(2,3)23-19-8-6-7-9-22(19)36-24-20(23)14-15-21(29-24)17-10-12-18(13-11-17)25(34)33(4)5/h3-10,15-16,24H,11-14H2,1-2H3,(H,31,32,34,37);3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,31,32,34,37);6-15,23H,5H2,1-4H3,(H,30,31,33,36);6-15,23H,1-5H3,(H,30,32,35)/t2*24-;2*23-/m0000/s1
InChIKeyMPTKFZZBTZYUBX-HOZLERJPSA-N
MW2148.48 g/mol
LogP22.24
Rot. Bonds21

About N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide

N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 159636072) has the molecular formula C114H105F3N20O13S4 and a molecular weight of 2148.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
PubChem CID159636072
Molecular FormulaC114H105F3N20O13S4
Molecular Weight2148.48 g/mol
Exact Mass2146.70
IUPAC NameN,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)c(F)c3)ccc21.CC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21.CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2ncns2)cc1F.Cc1nnc(NC(=O)C(C)(C)[C@H]2c3ccccc3Oc3nc(-c4ccc(C(=O)N(C)C)cc4)ccc32)s1
InChIInChI=1S/C29H26FN5O4S.C29H26FN5O3S.C28H26FN5O3S.C28H27N5O3S/c1-29(2,27(37)34-28-31-16-32-40-28)24-19-5-3-4-6-23(19)39-25-20(24)9-10-22(33-25)17-7-8-18(21(30)15-17)26(36)35-11-13-38-14-12-35;1-29(2,27(37)34-28-31-16-32-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(33-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35;1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)32-21)28(2,3)26(36)33-27-30-15-31-38-27;1-16-31-32-27(37-16)30-26(35)28(2,3)23-19-8-6-7-9-22(19)36-24-20(23)14-15-21(29-24)17-10-12-18(13-11-17)25(34)33(4)5/h3-10,15-16,24H,11-14H2,1-2H3,(H,31,32,34,37);3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,31,32,34,37);6-15,23H,5H2,1-4H3,(H,30,31,33,36);6-15,23H,1-5H3,(H,30,32,35)/t2*24-;2*23-/m0000/s1
InChIKeyMPTKFZZBTZYUBX-HOZLERJPSA-N
XLogP22.24
TPSA398.47 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.48
LogP ≤ 522.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide (CID 159636072) is N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide is CC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)c(F)c3)ccc21.CC(C)(C(=O)Nc1ncns1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21.CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2ncns2)cc1F.Cc1nnc(NC(=O)C(C)(C)[C@H]2c3ccccc3Oc3nc(-c4ccc(C(=O)N(C)C)cc4)ccc32)s1.
What is the InChIKey of N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is MPTKFZZBTZYUBX-HOZLERJPSA-N. The full InChI is InChI=1S/C29H26FN5O4S.C29H26FN5O3S.C28H26FN5O3S.C28H27N5O3S/c1-29(2,27(37)34-28-31-16-32-40-28)24-19-5-3-4-6-23(19)39-25-20(24)9-10-22(33-25)17-7-8-18(21(30)15-17)26(36)35-11-13-38-14-12-35;1-29(2,27(37)34-28-31-16-32-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(33-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35;1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)32-21)28(2,3)26(36)33-27-30-15-31-38-27;1-16-31-32-27(37-16)30-26(35)28(2,3)23-19-8-6-7-9-22(19)36-24-20(23)14-15-21(29-24)17-10-12-18(13-11-17)25(34)33(4)5/h3-10,15-16,24H,11-14H2,1-2H3,(H,31,32,34,37);3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,31,32,34,37);6-15,23H,5H2,1-4H3,(H,30,31,33,36);6-15,23H,1-5H3,(H,30,32,35)/t2*24-;2*23-/m0000/s1.
What are the key properties of N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide?
N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 2148.48 g/mol, XLogP of 22.24, 21 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 159636072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).