4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide

C21H24N10OS — CID 91343882

IUPAC4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide
SMILESCc1cc(Nc2nccc(-c3nc(N)sc3C#N)n2)cc(CCN2CCN(C(N)=O)CC2)n1
InChIInChI=1S/C21H24N10OS/c1-13-10-15(11-14(26-13)3-5-30-6-8-31(9-7-30)20(24)32)27-21-25-4-2-16(28-21)18-17(12-22)33-19(23)29-18/h2,4,10-11H,3,5-9H2,1H3,(H2,23,29)(H2,24,32)(H,25,26,27,28)
InChIKeyFWZIALJGMJBMAD-UHFFFAOYSA-N
MW464.56 g/mol
LogP1.74
Rot. Bonds6

About 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide

4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide (PubChem CID 91343882) has the molecular formula C21H24N10OS and a molecular weight of 464.56 g/mol. Its IUPAC name is 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide
PubChem CID91343882
Molecular FormulaC21H24N10OS
Molecular Weight464.56 g/mol
Exact Mass464.19
IUPAC Name4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide
SMILESCc1cc(Nc2nccc(-c3nc(N)sc3C#N)n2)cc(CCN2CCN(C(N)=O)CC2)n1
InChIInChI=1S/C21H24N10OS/c1-13-10-15(11-14(26-13)3-5-30-6-8-31(9-7-30)20(24)32)27-21-25-4-2-16(28-21)18-17(12-22)33-19(23)29-18/h2,4,10-11H,3,5-9H2,1H3,(H2,23,29)(H2,24,32)(H,25,26,27,28)
InChIKeyFWZIALJGMJBMAD-UHFFFAOYSA-N
XLogP1.74
TPSA162.97 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-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

4-[2-[6-chloro-4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]ethyl]piperazine-1-carboxamide
CID 91304135
[4-[[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]amino]-2-methoxyphenyl]-(4-propylpiperazin-1-yl)methanone
CID 59468421
N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 11280419
2-[3-[(4-acetylpiperazin-1-yl)methyl]-5-methylanilino]-1,3-thiazole-5-carbonitrile
CID 11508686
ethyl 4-[2-oxo-2-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]ethyl]piperazine-1-carboxylate
CID 11503566
[3-[[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-[4-(2-hydroperoxyethyl)piperazin-1-yl]methanone
CID 59468398
4-[4-[[4-[4-[amino(1-sulfanylpropyl)amino]phenyl]pyrimidin-2-yl]amino]benzoyl]piperazine-1-carboxamide
CID 142145435
3-[2-(3,5-difluoroanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylic acid
CID 163218205
4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazine-1-carboxamide
CID 142893279
4-butan-2-yl-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
CID 175710527
1-[2-cyano-4-[2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-pyridinyl]amino]pyrimidin-4-yl]phenyl]cyclopropane-1-carboxamide
CID 123937141
4-[[4-[2,6-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-2-yl]amino]benzonitrile
CID 129095867

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide (CID 91343882) is 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide is Cc1cc(Nc2nccc(-c3nc(N)sc3C#N)n2)cc(CCN2CCN(C(N)=O)CC2)n1.
What is the InChIKey of 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide?
The InChIKey is FWZIALJGMJBMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N10OS/c1-13-10-15(11-14(26-13)3-5-30-6-8-31(9-7-30)20(24)32)27-21-25-4-2-16(28-21)18-17(12-22)33-19(23)29-18/h2,4,10-11H,3,5-9H2,1H3,(H2,23,29)(H2,24,32)(H,25,26,27,28).
What are the key properties of 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide?
4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[4-(2-amino-5-cyano-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6-methyl-2-pyridinyl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 91343882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).