2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

C21H24Cl2N8O — CID 55838315

IUPAC2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCN(c3ncc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C21H24Cl2N8O/c1-13-8-14(2)26-21(25-13)31-18(9-15(3)28-31)27-19(32)12-29-4-6-30(7-5-29)20-17(23)10-16(22)11-24-20/h8-11H,4-7,12H2,1-3H3,(H,27,32)
InChIKeyBXIKKIJYZFRSPQ-UHFFFAOYSA-N
MW475.38 g/mol
LogP3.05
Rot. Bonds5

About 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 55838315) has the molecular formula C21H24Cl2N8O and a molecular weight of 475.38 g/mol. Its IUPAC name is 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID55838315
Molecular FormulaC21H24Cl2N8O
Molecular Weight475.38 g/mol
Exact Mass474.15
IUPAC Name2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCN(c3ncc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C21H24Cl2N8O/c1-13-8-14(2)26-21(25-13)31-18(9-15(3)28-31)27-19(32)12-29-4-6-30(7-5-29)20-17(23)10-16(22)11-24-20/h8-11H,4-7,12H2,1-3H3,(H,27,32)
InChIKeyBXIKKIJYZFRSPQ-UHFFFAOYSA-N
XLogP3.05
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide
CID 108756176
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 55838736
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108732713
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 120773593
N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55842278
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 37141496
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)acetamide
CID 167890562
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(9-oxa-2-azaspiro[5.5]undecan-2-yl)acetamide
CID 139004122
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 55995705
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 18196341
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108756105
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 55838315) is 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCN(c3ncc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is BXIKKIJYZFRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N8O/c1-13-8-14(2)26-21(25-13)31-18(9-15(3)28-31)27-19(32)12-29-4-6-30(7-5-29)20-17(23)10-16(22)11-24-20/h8-11H,4-7,12H2,1-3H3,(H,27,32).
What are the key properties of 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 475.38 g/mol, XLogP of 3.05, 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-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 55838315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).