N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

C43H53N15O4 — CID 67052147

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1cccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3cccn3)n2)c1.COc1cncc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C22H28N8O2.C21H25N7O2/c1-15-9-16(2)30(27-15)20-11-19(24-21(31)14-29-7-5-28(3)6-8-29)25-22(26-20)17-10-18(32-4)13-23-12-17;1-26-9-11-27(12-10-26)15-20(29)23-18-14-19(28-8-4-7-22-28)25-21(24-18)16-5-3-6-17(13-16)30-2/h9-13H,5-8,14H2,1-4H3,(H,24,25,26,31);3-8,13-14H,9-12,15H2,1-2H3,(H,23,24,25,29)
InChIKeyHNMPKALPQNXWOB-UHFFFAOYSA-N
MW844.00 g/mol
LogP3.06
Rot. Bonds12

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 67052147) has the molecular formula C43H53N15O4 and a molecular weight of 844.00 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID67052147
Molecular FormulaC43H53N15O4
Molecular Weight844.00 g/mol
Exact Mass843.44
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1cccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3cccn3)n2)c1.COc1cncc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C22H28N8O2.C21H25N7O2/c1-15-9-16(2)30(27-15)20-11-19(24-21(31)14-29-7-5-28(3)6-8-29)25-22(26-20)17-10-18(32-4)13-23-12-17;1-26-9-11-27(12-10-26)15-20(29)23-18-14-19(28-8-4-7-22-28)25-21(24-18)16-5-3-6-17(13-16)30-2/h9-13H,5-8,14H2,1-4H3,(H,24,25,26,31);3-8,13-14H,9-12,15H2,1-2H3,(H,23,24,25,29)
InChIKeyHNMPKALPQNXWOB-UHFFFAOYSA-N
XLogP3.06
TPSA189.71 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.00
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 67052147) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is COc1cccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3cccn3)n2)c1.COc1cncc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3nc(C)cc3C)n2)c1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is HNMPKALPQNXWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2.C21H25N7O2/c1-15-9-16(2)30(27-15)20-11-19(24-21(31)14-29-7-5-28(3)6-8-29)25-22(26-20)17-10-18(32-4)13-23-12-17;1-26-9-11-27(12-10-26)15-20(29)23-18-14-19(28-8-4-7-22-28)25-21(24-18)16-5-3-6-17(13-16)30-2/h9-13H,5-8,14H2,1-4H3,(H,24,25,26,31);3-8,13-14H,9-12,15H2,1-2H3,(H,23,24,25,29).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 844.00 g/mol, XLogP of 3.06, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide;N-[2-(3-methoxyphenyl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 67052147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).