3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide

C150H149Cl5N34O6S6 — CID 167551674

IUPAC3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3c(N)nccc3c2)sc1CN1CCN(c2ccncc2)CC1.Nc1nccc2cc(CCC(=O)c3cc(Cl)c(CN4CCN(c5ncccn5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CCN(c5ccccn5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CCN(c5cccnc5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CC[C@@H](Cc5cccnc5)C4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4Cc5ccncc5C4)s3)ccc12
InChIInChI=1S/C26H26ClN5OS.C26H28N6OS.3C25H25ClN6OS.C23H20ClN5OS/c27-22-12-23(26(33)31-14-18-3-4-21-20(11-18)5-8-30-25(21)28)34-24(22)16-32-9-6-19(15-32)10-17-2-1-7-29-13-17;1-18-14-23(26(33)30-16-19-2-3-22-20(15-19)4-9-29-25(22)27)34-24(18)17-31-10-12-32(13-11-31)21-5-7-28-8-6-21;26-20-15-22(21(33)5-3-17-2-4-19-18(14-17)6-9-28-24(19)27)34-23(20)16-31-10-12-32(13-11-31)25-29-7-1-8-30-25;26-21-13-22(25(33)30-14-17-3-4-20-18(12-17)5-7-29-24(20)27)34-23(21)16-31-8-10-32(11-9-31)19-2-1-6-28-15-19;26-20-14-21(25(33)30-15-17-4-5-19-18(13-17)6-8-29-24(19)27)34-22(20)16-31-9-11-32(12-10-31)23-3-1-2-7-28-23;24-19-8-20(31-21(19)13-29-11-16-3-5-26-10-17(16)12-29)23(30)28-9-14-1-2-18-15(7-14)4-6-27-22(18)25/h1-5,7-8,11-13,19H,6,9-10,14-16H2,(H2,28,30)(H,31,33);2-9,14-15H,10-13,16-17H2,1H3,(H2,27,29)(H,30,33);1-2,4,6-9,14-15H,3,5,10-13,16H2,(H2,27,28);1-7,12-13,15H,8-11,14,16H2,(H2,27,29)(H,30,33);1-8,13-14H,9-12,15-16H2,(H2,27,29)(H,30,33);1-8,10H,9,11-13H2,(H2,25,27)(H,28,30)/t19-;;;;;/m0...../s1
InChIKeyCMIJOYURNPWCKR-DTFPXZKCSA-N
MW2893.74 g/mol
LogP25.95
Rot. Bonds37

About 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide

3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide (PubChem CID 167551674) has the molecular formula C150H149Cl5N34O6S6 and a molecular weight of 2893.74 g/mol. Its IUPAC name is 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide
PubChem CID167551674
Molecular FormulaC150H149Cl5N34O6S6
Molecular Weight2893.74 g/mol
Exact Mass2888.92
IUPAC Name3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3c(N)nccc3c2)sc1CN1CCN(c2ccncc2)CC1.Nc1nccc2cc(CCC(=O)c3cc(Cl)c(CN4CCN(c5ncccn5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CCN(c5ccccn5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CCN(c5cccnc5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CC[C@@H](Cc5cccnc5)C4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4Cc5ccncc5C4)s3)ccc12
InChIInChI=1S/C26H26ClN5OS.C26H28N6OS.3C25H25ClN6OS.C23H20ClN5OS/c27-22-12-23(26(33)31-14-18-3-4-21-20(11-18)5-8-30-25(21)28)34-24(22)16-32-9-6-19(15-32)10-17-2-1-7-29-13-17;1-18-14-23(26(33)30-16-19-2-3-22-20(15-19)4-9-29-25(22)27)34-24(18)17-31-10-12-32(13-11-31)21-5-7-28-8-6-21;26-20-15-22(21(33)5-3-17-2-4-19-18(14-17)6-9-28-24(19)27)34-23(20)16-31-10-12-32(13-11-31)25-29-7-1-8-30-25;26-21-13-22(25(33)30-14-17-3-4-20-18(12-17)5-7-29-24(20)27)34-23(21)16-31-8-10-32(11-9-31)19-2-1-6-28-15-19;26-20-14-21(25(33)30-15-17-4-5-19-18(13-17)6-8-29-24(19)27)34-22(20)16-31-9-11-32(12-10-31)23-3-1-2-7-28-23;24-19-8-20(31-21(19)13-29-11-16-3-5-26-10-17(16)12-29)23(30)28-9-14-1-2-18-15(7-14)4-6-27-22(18)25/h1-5,7-8,11-13,19H,6,9-10,14-16H2,(H2,28,30)(H,31,33);2-9,14-15H,10-13,16-17H2,1H3,(H2,27,29)(H,30,33);1-2,4,6-9,14-15H,3,5,10-13,16H2,(H2,27,28);1-7,12-13,15H,8-11,14,16H2,(H2,27,29)(H,30,33);1-8,13-14H,9-12,15-16H2,(H2,27,29)(H,30,33);1-8,10H,9,11-13H2,(H2,25,27)(H,28,30)/t19-;;;;;/m0...../s1
InChIKeyCMIJOYURNPWCKR-DTFPXZKCSA-N
XLogP25.95
TPSA518.66 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds37
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002893.74
LogP ≤ 525.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide (CID 167551674) is 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)sc1CN1CCN(c2ccncc2)CC1.Nc1nccc2cc(CCC(=O)c3cc(Cl)c(CN4CCN(c5ncccn5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CCN(c5ccccn5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CCN(c5cccnc5)CC4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4CC[C@@H](Cc5cccnc5)C4)s3)ccc12.Nc1nccc2cc(CNC(=O)c3cc(Cl)c(CN4Cc5ccncc5C4)s3)ccc12.
What is the InChIKey of 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide?
The InChIKey is CMIJOYURNPWCKR-DTFPXZKCSA-N. The full InChI is InChI=1S/C26H26ClN5OS.C26H28N6OS.3C25H25ClN6OS.C23H20ClN5OS/c27-22-12-23(26(33)31-14-18-3-4-21-20(11-18)5-8-30-25(21)28)34-24(22)16-32-9-6-19(15-32)10-17-2-1-7-29-13-17;1-18-14-23(26(33)30-16-19-2-3-22-20(15-19)4-9-29-25(22)27)34-24(18)17-31-10-12-32(13-11-31)21-5-7-28-8-6-21;26-20-15-22(21(33)5-3-17-2-4-19-18(14-17)6-9-28-24(19)27)34-23(20)16-31-10-12-32(13-11-31)25-29-7-1-8-30-25;26-21-13-22(25(33)30-14-17-3-4-20-18(12-17)5-7-29-24(20)27)34-23(21)16-31-8-10-32(11-9-31)19-2-1-6-28-15-19;26-20-14-21(25(33)30-15-17-4-5-19-18(13-17)6-8-29-24(19)27)34-22(20)16-31-9-11-32(12-10-31)23-3-1-2-7-28-23;24-19-8-20(31-21(19)13-29-11-16-3-5-26-10-17(16)12-29)23(30)28-9-14-1-2-18-15(7-14)4-6-27-22(18)25/h1-5,7-8,11-13,19H,6,9-10,14-16H2,(H2,28,30)(H,31,33);2-9,14-15H,10-13,16-17H2,1H3,(H2,27,29)(H,30,33);1-2,4,6-9,14-15H,3,5,10-13,16H2,(H2,27,28);1-7,12-13,15H,8-11,14,16H2,(H2,27,29)(H,30,33);1-8,13-14H,9-12,15-16H2,(H2,27,29)(H,30,33);1-8,10H,9,11-13H2,(H2,25,27)(H,28,30)/t19-;;;;;/m0...../s1.
What are the key properties of 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide?
3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide has a molecular weight of 2893.74 g/mol, XLogP of 25.95, 37 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-4-methyl-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 167551674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).