2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C20H25N7OS — CID 90508032

IUPAC2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCN(c3c(C)nn(-c4ccccn4)c3C)CC2)n1
InChIInChI=1S/C20H25N7OS/c1-14-13-29-20(22-14)23-18(28)12-25-8-10-26(11-9-25)19-15(2)24-27(16(19)3)17-6-4-5-7-21-17/h4-7,13H,8-12H2,1-3H3,(H,22,23,28)
InChIKeyBUGSBQOJWDUJJC-UHFFFAOYSA-N
MW411.54 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 90508032) has the molecular formula C20H25N7OS and a molecular weight of 411.54 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID90508032
Molecular FormulaC20H25N7OS
Molecular Weight411.54 g/mol
Exact Mass411.18
IUPAC Name2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCN(c3c(C)nn(-c4ccccn4)c3C)CC2)n1
InChIInChI=1S/C20H25N7OS/c1-14-13-29-20(22-14)23-18(28)12-25-8-10-26(11-9-25)19-15(2)24-27(16(19)3)17-6-4-5-7-21-17/h4-7,13H,8-12H2,1-3H3,(H,22,23,28)
InChIKeyBUGSBQOJWDUJJC-UHFFFAOYSA-N
XLogP2.41
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 90508035
4-[[2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
CID 90508037
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 90508038
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 90508025
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71866668
2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 86891941
N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508088
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90508059
N-(2-chlorophenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508111

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 90508032) is 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCN(c3c(C)nn(-c4ccccn4)c3C)CC2)n1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BUGSBQOJWDUJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7OS/c1-14-13-29-20(22-14)23-18(28)12-25-8-10-26(11-9-25)19-15(2)24-27(16(19)3)17-6-4-5-7-21-17/h4-7,13H,8-12H2,1-3H3,(H,22,23,28).
What are the key properties of 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 411.54 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90508032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).