2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide

C24H25N7O — CID 59198083

IUPAC2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(C)c(Nc2nccc(-c3cncc(C)c3)n2)c1
InChIInChI=1S/C24H25N7O/c1-5-31-22(11-17(4)30-31)23(32)27-19-7-6-16(3)21(12-19)29-24-26-9-8-20(28-24)18-10-15(2)13-25-14-18/h6-14H,5H2,1-4H3,(H,27,32)(H,26,28,29)
InChIKeyCEZFDTJDRPGDLP-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.68
Rot. Bonds6

About 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 59198083) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide
PubChem CID59198083
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(C)c(Nc2nccc(-c3cncc(C)c3)n2)c1
InChIInChI=1S/C24H25N7O/c1-5-31-22(11-17(4)30-31)23(32)27-19-7-6-16(3)21(12-19)29-24-26-9-8-20(28-24)18-10-15(2)13-25-14-18/h6-14H,5H2,1-4H3,(H,27,32)(H,26,28,29)
InChIKeyCEZFDTJDRPGDLP-UHFFFAOYSA-N
XLogP4.68
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide
CID 59198124
N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-pentylbenzamide
CID 11597628
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;hydrobromide
CID 66555548
N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide
CID 11518257
5-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 59198128
4-(butoxymethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 174720789
4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[4-(5-hydroxy-3-pyridinyl)pyrimidin-2-yl]amino]-4-methylphenyl]benzamide
CID 163563117
4-(diethoxyphosphorylmethoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 143223118
3-(ethylamino)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethyl)benzamide
CID 10051332
1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide (CID 59198083) is 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ccc(C)c(Nc2nccc(-c3cncc(C)c3)n2)c1.
What is the InChIKey of 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is CEZFDTJDRPGDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-5-31-22(11-17(4)30-31)23(32)27-19-7-6-16(3)21(12-19)29-24-26-9-8-20(28-24)18-10-15(2)13-25-14-18/h6-14H,5H2,1-4H3,(H,27,32)(H,26,28,29).
What are the key properties of 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[4-methyl-3-[[4-(5-methyl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 59198083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).