3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine

C164H193N27O7S6 — CID 162020191

IUPAC3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine
SMILESCC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(N4CCCCC4)s3)cnc2N)c1.CC(C)c1ncc(-c2cnc(N)c(OCc3cc(C#CC(C)(C)C)ccc3CN)c2)s1.CCN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CC5)c4)c3)s2)CC1.CN1CCN(C2CCN(c3ncc(-c4cnc(N)c(OCc5cccc(C#CC(C)(C)C)c5)c4)s3)CC2)CC1.[C-]#[N+]c1ccc(C#CC(C)(C)C)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N
InChIInChI=1S/C31H40N6OS.C28H31N5OS.C28H34N4OS.C26H28N4O2S.C26H30N4OS.C25H30N4OS/c1-31(2,3)11-8-23-6-5-7-24(18-23)22-38-27-19-25(20-33-29(27)32)28-21-34-30(39-28)37-12-9-26(10-13-37)36-16-14-35(4)15-17-36;1-28(2,3)11-8-19-6-7-23(30-4)22(14-19)18-34-24-15-21(16-31-26(24)29)25-17-32-27(35-25)20-9-12-33(5)13-10-20;1-5-32-13-10-22(11-14-32)27-31-18-25(34-27)23-16-24(26(29)30-17-23)33-19-21-8-6-7-20(15-21)9-12-28(2,3)4;1-30-11-6-20(7-12-30)25-29-16-23(33-25)21-14-22(24(27)28-15-21)32-17-19-4-2-3-18(13-19)5-8-26(31)9-10-26;1-26(2,3)11-10-19-8-7-9-20(14-19)18-31-22-15-21(16-28-24(22)27)23-17-29-25(32-23)30-12-5-4-6-13-30;1-16(2)24-29-14-22(31-24)19-11-21(23(27)28-13-19)30-15-20-10-17(6-7-18(20)12-26)8-9-25(3,4)5/h5-7,18-21,26H,9-10,12-17,22H2,1-4H3,(H2,32,33);6-7,14-17,20H,9-10,12-13,18H2,1-3,5H3,(H2,29,31);6-8,15-18,22H,5,10-11,13-14,19H2,1-4H3,(H2,29,30);2-4,13-16,20,31H,6-7,9-12,17H2,1H3,(H2,27,28);7-9,14-17H,4-6,12-13,18H2,1-3H3,(H2,27,28);6-7,10-11,13-14,16H,12,15,26H2,1-5H3,(H2,27,28)
InChIKeyYUQQENJCGWRABZ-UHFFFAOYSA-N
MW2846.93 g/mol
LogP32.22
Rot. Bonds33

About 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine

3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine (PubChem CID 162020191) has the molecular formula C164H193N27O7S6 and a molecular weight of 2846.93 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine
PubChem CID162020191
Molecular FormulaC164H193N27O7S6
Molecular Weight2846.93 g/mol
Exact Mass2844.39
IUPAC Name3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine
SMILESCC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(N4CCCCC4)s3)cnc2N)c1.CC(C)c1ncc(-c2cnc(N)c(OCc3cc(C#CC(C)(C)C)ccc3CN)c2)s1.CCN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CC5)c4)c3)s2)CC1.CN1CCN(C2CCN(c3ncc(-c4cnc(N)c(OCc5cccc(C#CC(C)(C)C)c5)c4)s3)CC2)CC1.[C-]#[N+]c1ccc(C#CC(C)(C)C)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N
InChIInChI=1S/C31H40N6OS.C28H31N5OS.C28H34N4OS.C26H28N4O2S.C26H30N4OS.C25H30N4OS/c1-31(2,3)11-8-23-6-5-7-24(18-23)22-38-27-19-25(20-33-29(27)32)28-21-34-30(39-28)37-12-9-26(10-13-37)36-16-14-35(4)15-17-36;1-28(2,3)11-8-19-6-7-23(30-4)22(14-19)18-34-24-15-21(16-31-26(24)29)25-17-32-27(35-25)20-9-12-33(5)13-10-20;1-5-32-13-10-22(11-14-32)27-31-18-25(34-27)23-16-24(26(29)30-17-23)33-19-21-8-6-7-20(15-21)9-12-28(2,3)4;1-30-11-6-20(7-12-30)25-29-16-23(33-25)21-14-22(24(27)28-15-21)32-17-19-4-2-3-18(13-19)5-8-26(31)9-10-26;1-26(2,3)11-10-19-8-7-9-20(14-19)18-31-22-15-21(16-28-24(22)27)23-17-29-25(32-23)30-12-5-4-6-13-30;1-16(2)24-29-14-22(31-24)19-11-21(23(27)28-13-19)30-15-20-10-17(6-7-18(20)12-26)8-9-25(3,4)5/h5-7,18-21,26H,9-10,12-17,22H2,1-4H3,(H2,32,33);6-7,14-17,20H,9-10,12-13,18H2,1-3,5H3,(H2,29,31);6-8,15-18,22H,5,10-11,13-14,19H2,1-4H3,(H2,29,30);2-4,13-16,20,31H,6-7,9-12,17H2,1H3,(H2,27,28);7-9,14-17H,4-6,12-13,18H2,1-3H3,(H2,27,28);6-7,10-11,13-14,16H,12,15,26H2,1-5H3,(H2,27,28)
InChIKeyYUQQENJCGWRABZ-UHFFFAOYSA-N
XLogP32.22
TPSA439.47 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds33
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002846.93
LogP ≤ 532.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The IUPAC name of 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine (CID 162020191) is 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The canonical SMILES for 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine is CC(C)(C)C#Cc1cccc(COc2cc(-c3cnc(N4CCCCC4)s3)cnc2N)c1.CC(C)c1ncc(-c2cnc(N)c(OCc3cc(C#CC(C)(C)C)ccc3CN)c2)s1.CCN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC(C)(C)C)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CC5)c4)c3)s2)CC1.CN1CCN(C2CCN(c3ncc(-c4cnc(N)c(OCc5cccc(C#CC(C)(C)C)c5)c4)s3)CC2)CC1.[C-]#[N+]c1ccc(C#CC(C)(C)C)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N.
What is the InChIKey of 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine?
The InChIKey is YUQQENJCGWRABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6OS.C28H31N5OS.C28H34N4OS.C26H28N4O2S.C26H30N4OS.C25H30N4OS/c1-31(2,3)11-8-23-6-5-7-24(18-23)22-38-27-19-25(20-33-29(27)32)28-21-34-30(39-28)37-12-9-26(10-13-37)36-16-14-35(4)15-17-36;1-28(2,3)11-8-19-6-7-23(30-4)22(14-19)18-34-24-15-21(16-31-26(24)29)25-17-32-27(35-25)20-9-12-33(5)13-10-20;1-5-32-13-10-22(11-14-32)27-31-18-25(34-27)23-16-24(26(29)30-17-23)33-19-21-8-6-7-20(15-21)9-12-28(2,3)4;1-30-11-6-20(7-12-30)25-29-16-23(33-25)21-14-22(24(27)28-15-21)32-17-19-4-2-3-18(13-19)5-8-26(31)9-10-26;1-26(2,3)11-10-19-8-7-9-20(14-19)18-31-22-15-21(16-28-24(22)27)23-17-29-25(32-23)30-12-5-4-6-13-30;1-16(2)24-29-14-22(31-24)19-11-21(23(27)28-13-19)30-15-20-10-17(6-7-18(20)12-26)8-9-25(3,4)5/h5-7,18-21,26H,9-10,12-17,22H2,1-4H3,(H2,32,33);6-7,14-17,20H,9-10,12-13,18H2,1-3,5H3,(H2,29,31);6-8,15-18,22H,5,10-11,13-14,19H2,1-4H3,(H2,29,30);2-4,13-16,20,31H,6-7,9-12,17H2,1H3,(H2,27,28);7-9,14-17H,4-6,12-13,18H2,1-3H3,(H2,27,28);6-7,10-11,13-14,16H,12,15,26H2,1-5H3,(H2,27,28).
What are the key properties of 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine?
3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine has a molecular weight of 2846.93 g/mol, XLogP of 32.22, 33 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-5-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;1-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;3-[[5-(3,3-dimethylbut-1-ynyl)-2-isocyanophenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methoxy]-5-(2-piperidin-1-yl-1,3-thiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 162020191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).