N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide

C24H27N7OS — CID 122288428

IUPACN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2)n1
InChIInChI=1S/C24H27N7OS/c1-5-31(6-2)22-14-16(3)25-24(28-22)27-18-11-9-17(10-12-18)26-23(32)20-15-19(29-30(20)4)21-8-7-13-33-21/h7-15H,5-6H2,1-4H3,(H,26,32)(H,25,27,28)
InChIKeyXSUWLVIGBQFNON-UHFFFAOYSA-N
MW461.60 g/mol
LogP5.09
Rot. Bonds8

About N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 122288428) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID122288428
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2)n1
InChIInChI=1S/C24H27N7OS/c1-5-31(6-2)22-14-16(3)25-24(28-22)27-18-11-9-17(10-12-18)26-23(32)20-15-19(29-30(20)4)21-8-7-13-33-21/h7-15H,5-6H2,1-4H3,(H,26,32)(H,25,27,28)
InChIKeyXSUWLVIGBQFNON-UHFFFAOYSA-N
XLogP5.09
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide with MolForge

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Related Compounds

1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122295961
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122322316
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122296841
1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 86207596
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122288391
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122288400
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122290696
N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112924147
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122288252
(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 122288447

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 122288428) is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2)n1.
What is the InChIKey of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is XSUWLVIGBQFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-5-31(6-2)22-14-16(3)25-24(28-22)27-18-11-9-17(10-12-18)26-23(32)20-15-19(29-30(20)4)21-8-7-13-33-21/h7-15H,5-6H2,1-4H3,(H,26,32)(H,25,27,28).
What are the key properties of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 461.60 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 122288428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).