N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C87H101N19O5S3 — CID 158227216

IUPACN-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NC(CN5CCCC5)c5ccccc5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NC5CCCC(CO)C5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCc5cccc(CO)c5)s4)n3)c2)CC1
InChIInChI=1S/C32H37N7OS.C28H30N6O2S.C27H34N6O2S/c1-37-18-20-39(21-19-37)26-11-7-10-25(22-26)34-32-33-15-14-27(36-32)29-12-13-30(41-29)31(40)35-28(23-38-16-5-6-17-38)24-8-3-2-4-9-24;1-33-12-14-34(15-13-33)23-7-3-6-22(17-23)31-28-29-11-10-24(32-28)25-8-9-26(37-25)27(36)30-18-20-4-2-5-21(16-20)19-35;1-32-12-14-33(15-13-32)22-7-3-6-21(17-22)30-27-28-11-10-23(31-27)24-8-9-25(36-24)26(35)29-20-5-2-4-19(16-20)18-34/h2-4,7-15,22,28H,5-6,16-21,23H2,1H3,(H,35,40)(H,33,34,36);2-11,16-17,35H,12-15,18-19H2,1H3,(H,30,36)(H,29,31,32);3,6-11,17,19-20,34H,2,4-5,12-16,18H2,1H3,(H,29,35)(H,28,30,31)
InChIKeyGDYAXNKSOPXKIV-UHFFFAOYSA-N
MW1589.09 g/mol
LogP13.37
Rot. Bonds24

About N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 158227216) has the molecular formula C87H101N19O5S3 and a molecular weight of 1589.09 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID158227216
Molecular FormulaC87H101N19O5S3
Molecular Weight1589.09 g/mol
Exact Mass1587.74
IUPAC NameN-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NC(CN5CCCC5)c5ccccc5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NC5CCCC(CO)C5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCc5cccc(CO)c5)s4)n3)c2)CC1
InChIInChI=1S/C32H37N7OS.C28H30N6O2S.C27H34N6O2S/c1-37-18-20-39(21-19-37)26-11-7-10-25(22-26)34-32-33-15-14-27(36-32)29-12-13-30(41-29)31(40)35-28(23-38-16-5-6-17-38)24-8-3-2-4-9-24;1-33-12-14-34(15-13-33)23-7-3-6-22(17-23)31-28-29-11-10-24(32-28)25-8-9-26(37-25)27(36)30-18-20-4-2-5-21(16-20)19-35;1-32-12-14-33(15-13-32)22-7-3-6-21(17-22)30-27-28-11-10-23(31-27)24-8-9-25(36-24)26(35)29-20-5-2-4-19(16-20)18-34/h2-4,7-15,22,28H,5-6,16-21,23H2,1H3,(H,35,40)(H,33,34,36);2-11,16-17,35H,12-15,18-19H2,1H3,(H,30,36)(H,29,31,32);3,6-11,17,19-20,34H,2,4-5,12-16,18H2,1H3,(H,29,35)(H,28,30,31)
InChIKeyGDYAXNKSOPXKIV-UHFFFAOYSA-N
XLogP13.37
TPSA263.87 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.09
LogP ≤ 513.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide 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

5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;methyl 3-[[[5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoate;3-[[[5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoic acid;5-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 159541509
3-[[[5-[2-[3-(4-Methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoic acid
CID 59777012
N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 59777084
[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 68260512
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methoxy-N-methylthiophene-2-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxylic acid;1-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 157232108
2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone
CID 157284490
N-(4-hydroxybutyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[3-(hydroxymethyl)phenyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(1H-indol-6-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 157288494
N-[[4-(hydroxymethyl)cyclohexyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[2-(3-hydroxyphenyl)ethyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 157407647
[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-[3-[[4-[5-(2,6-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]methanone;1-[3-[[4-[5-(2-phenylphenyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol
CID 157420856
1,3-Dihydroisoindol-2-yl-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]methanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 157434599
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-[(4-ethylpiperazin-1-yl)methyl]-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 157437469
5-[2-[4-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;N-[2-(3-methoxyphenyl)ethyl]-5-[2-[3-(4-methyl-2-oxopiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 157470557

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 158227216) is N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NC(CN5CCCC5)c5ccccc5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NC5CCCC(CO)C5)s4)n3)c2)CC1.CN1CCN(c2cccc(Nc3nccc(-c4ccc(C(=O)NCc5cccc(CO)c5)s4)n3)c2)CC1.
What is the InChIKey of N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is GDYAXNKSOPXKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7OS.C28H30N6O2S.C27H34N6O2S/c1-37-18-20-39(21-19-37)26-11-7-10-25(22-26)34-32-33-15-14-27(36-32)29-12-13-30(41-29)31(40)35-28(23-38-16-5-6-17-38)24-8-3-2-4-9-24;1-33-12-14-34(15-13-33)23-7-3-6-22(17-23)31-28-29-11-10-24(32-28)25-8-9-26(37-25)27(36)30-18-20-4-2-5-21(16-20)19-35;1-32-12-14-33(15-13-32)22-7-3-6-21(17-22)30-27-28-11-10-23(31-27)24-8-9-25(36-24)26(35)29-20-5-2-4-19(16-20)18-34/h2-4,7-15,22,28H,5-6,16-21,23H2,1H3,(H,35,40)(H,33,34,36);2-11,16-17,35H,12-15,18-19H2,1H3,(H,30,36)(H,29,31,32);3,6-11,17,19-20,34H,2,4-5,12-16,18H2,1H3,(H,29,35)(H,28,30,31).
What are the key properties of N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 1589.09 g/mol, XLogP of 13.37, 24 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)cyclohexyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(hydroxymethyl)phenyl]methyl]-5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 158227216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).