[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone

C22H27N7O2S — CID 122340074

IUPAC[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H27N7O2S/c1-16-14-20(24-22(23-16)29-9-11-31-12-10-29)27-5-7-28(8-6-27)21(30)18-15-17(25-26(18)2)19-4-3-13-32-19/h3-4,13-15H,5-12H2,1-2H3
InChIKeyWUHNMMBSRDYKDU-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.05
Rot. Bonds4

About [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone

[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone (PubChem CID 122340074) has the molecular formula C22H27N7O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
PubChem CID122340074
Molecular FormulaC22H27N7O2S
Molecular Weight453.57 g/mol
Exact Mass453.19
IUPAC Name[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H27N7O2S/c1-16-14-20(24-22(23-16)29-9-11-31-12-10-29)27-5-7-28(8-6-27)21(30)18-15-17(25-26(18)2)19-4-3-13-32-19/h3-4,13-15H,5-12H2,1-2H3
InChIKeyWUHNMMBSRDYKDU-UHFFFAOYSA-N
XLogP2.05
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333855
(1-methyl-3-phenylpyrazol-5-yl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344425
(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146094
1,3-benzothiazol-2-yl-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333533
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 56699579
1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122352897
1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122294976
1,3-benzodioxol-5-yl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50946556
[4-(dimethylamino)phenyl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333542
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339504
(3-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031903

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone (CID 122340074) is [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone is Cc1cc(N2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The InChIKey is WUHNMMBSRDYKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2S/c1-16-14-20(24-22(23-16)29-9-11-31-12-10-29)27-5-7-28(8-6-27)21(30)18-15-17(25-26(18)2)19-4-3-13-32-19/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone has a molecular weight of 453.57 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 122340074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).