1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine

C87H103N19O10S8 — CID 158552619

IUPAC1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine
SMILESCC(C)c1cc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCCCC4)s3)n2)n(C)n1.CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(CCO)cc3)n2)s1.CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)s1.O=S(=O)(c1ccc(-c2ccnc(Nc3cccc4cc[nH]c34)n2)s1)N1CCCCC1
InChIInChI=1S/2C23H28N4O3S2.C21H21N5O2S2.C20H26N6O2S2/c1-3-19-9-4-5-14-27(19)32(29,30)22-11-10-21(31-22)20-12-13-24-23(26-20)25-18-8-6-7-17(15-18)16(2)28;1-2-19-5-3-4-15-27(19)32(29,30)22-11-10-21(31-22)20-12-14-24-23(26-20)25-18-8-6-17(7-9-18)13-16-28;27-30(28,26-13-2-1-3-14-26)19-8-7-18(29-19)16-10-12-23-21(24-16)25-17-6-4-5-15-9-11-22-20(15)17;1-14(2)16-13-18(25(3)24-16)23-20-21-10-9-15(22-20)17-7-8-19(29-17)30(27,28)26-11-5-4-6-12-26/h6-8,10-13,15-16,19,28H,3-5,9,14H2,1-2H3,(H,24,25,26);6-12,14,19,28H,2-5,13,15-16H2,1H3,(H,24,25,26);4-12,22H,1-3,13-14H2,(H,23,24,25);7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,22,23)
InChIKeyHPXGJUVQXBNIAZ-UHFFFAOYSA-N
MW1831.44 g/mol
LogP17.98
Rot. Bonds26

About 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine

1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine (PubChem CID 158552619) has the molecular formula C87H103N19O10S8 and a molecular weight of 1831.44 g/mol. Its IUPAC name is 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine.

Molecular Properties

Compound Name1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine
PubChem CID158552619
Molecular FormulaC87H103N19O10S8
Molecular Weight1831.44 g/mol
Exact Mass1829.59
IUPAC Name1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine
SMILESCC(C)c1cc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCCCC4)s3)n2)n(C)n1.CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(CCO)cc3)n2)s1.CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)s1.O=S(=O)(c1ccc(-c2ccnc(Nc3cccc4cc[nH]c34)n2)s1)N1CCCCC1
InChIInChI=1S/2C23H28N4O3S2.C21H21N5O2S2.C20H26N6O2S2/c1-3-19-9-4-5-14-27(19)32(29,30)22-11-10-21(31-22)20-12-13-24-23(26-20)25-18-8-6-7-17(15-18)16(2)28;1-2-19-5-3-4-15-27(19)32(29,30)22-11-10-21(31-22)20-12-14-24-23(26-20)25-18-8-6-17(7-9-18)13-16-28;27-30(28,26-13-2-1-3-14-26)19-8-7-18(29-19)16-10-12-23-21(24-16)25-17-6-4-5-15-9-11-22-20(15)17;1-14(2)16-13-18(25(3)24-16)23-20-21-10-9-15(22-20)17-7-8-19(29-17)30(27,28)26-11-5-4-6-12-26/h6-8,10-13,15-16,19,28H,3-5,9,14H2,1-2H3,(H,24,25,26);6-12,14,19,28H,2-5,13,15-16H2,1H3,(H,24,25,26);4-12,22H,1-3,13-14H2,(H,23,24,25);7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,22,23)
InChIKeyHPXGJUVQXBNIAZ-UHFFFAOYSA-N
XLogP17.98
TPSA374.83 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001831.44
LogP ≤ 517.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-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

4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide;N-[4-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methanesulfonamide;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]methanol;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157194288
N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;bis(4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol)
CID 158020782
[5-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]methanol;4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;methane;4-[[3-(5-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(6-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;3-[(3-naphthalen-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
CID 158095126
3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-b]pyridazin-8-amine;N-[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanesulfonamide;[5-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-8-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158145525
4-[[3-(1-benzothiophen-3-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[5-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]methanol;4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(6-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 161160996
4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine
CID 161461270

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine?
The IUPAC name of 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine (CID 158552619) is 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine.
What is the SMILES notation for 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine?
The canonical SMILES for 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine is CC(C)c1cc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCCCC4)s3)n2)n(C)n1.CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(CCO)cc3)n2)s1.CCC1CCCCN1S(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)s1.O=S(=O)(c1ccc(-c2ccnc(Nc3cccc4cc[nH]c34)n2)s1)N1CCCCC1.
What is the InChIKey of 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine?
The InChIKey is HPXGJUVQXBNIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H28N4O3S2.C21H21N5O2S2.C20H26N6O2S2/c1-3-19-9-4-5-14-27(19)32(29,30)22-11-10-21(31-22)20-12-13-24-23(26-20)25-18-8-6-7-17(15-18)16(2)28;1-2-19-5-3-4-15-27(19)32(29,30)22-11-10-21(31-22)20-12-14-24-23(26-20)25-18-8-6-17(7-9-18)13-16-28;27-30(28,26-13-2-1-3-14-26)19-8-7-18(29-19)16-10-12-23-21(24-16)25-17-6-4-5-15-9-11-22-20(15)17;1-14(2)16-13-18(25(3)24-16)23-20-21-10-9-15(22-20)17-7-8-19(29-17)30(27,28)26-11-5-4-6-12-26/h6-8,10-13,15-16,19,28H,3-5,9,14H2,1-2H3,(H,24,25,26);6-12,14,19,28H,2-5,13,15-16H2,1H3,(H,24,25,26);4-12,22H,1-3,13-14H2,(H,23,24,25);7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,22,23).
What are the key properties of 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine?
1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine has a molecular weight of 1831.44 g/mol, XLogP of 17.98, 26 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;2-[4-[[4-[5-(2-ethylpiperidin-1-yl)sulfonylthiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol;N-(1-methyl-3-propan-2-ylpyrazol-5-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine;N-[4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]-1H-indol-7-amine is sourced from PubChem (CID 158552619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).