3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide

C22H24N8O2 — CID 122328408

IUPAC3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCNc3cc(-n4ccc(C)n4)ncn3)n(C)n2)c1
InChIInChI=1S/C22H24N8O2/c1-15-7-10-30(27-15)21-13-20(25-14-26-21)23-8-9-24-22(31)19-12-18(28-29(19)2)16-5-4-6-17(11-16)32-3/h4-7,10-14H,8-9H2,1-3H3,(H,24,31)(H,23,25,26)
InChIKeyABJNMJFDTFGJCN-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.22
Rot. Bonds8

About 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide (PubChem CID 122328408) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide
PubChem CID122328408
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCNc3cc(-n4ccc(C)n4)ncn3)n(C)n2)c1
InChIInChI=1S/C22H24N8O2/c1-15-7-10-30(27-15)21-13-20(25-14-26-21)23-8-9-24-22(31)19-12-18(28-29(19)2)16-5-4-6-17(11-16)32-3/h4-7,10-14H,8-9H2,1-3H3,(H,24,31)(H,23,25,26)
InChIKeyABJNMJFDTFGJCN-UHFFFAOYSA-N
XLogP2.22
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122328299
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122293434
3-(3-methoxyphenyl)-1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]pyrazole-5-carboxamide
CID 122294975
3-(3-methoxyphenyl)-1-methyl-N-[(6-methylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122263527
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729
3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide
CID 90544707
3-(dimethylamino)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122328344
4-(dimethylamino)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122328343
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682
1-[3-(difluoromethoxy)phenyl]-3-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]urea
CID 122328270
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345960
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(tetrazol-1-yl)benzamide
CID 122328399

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide (CID 122328408) is 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCNc3cc(-n4ccc(C)n4)ncn3)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide?
The InChIKey is ABJNMJFDTFGJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-15-7-10-30(27-15)21-13-20(25-14-26-21)23-8-9-24-22(31)19-12-18(28-29(19)2)16-5-4-6-17(11-16)32-3/h4-7,10-14H,8-9H2,1-3H3,(H,24,31)(H,23,25,26).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122328408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).