5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C26H21N7O — CID 108744669

IUPAC5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cnn1-c1ccccn1
InChIInChI=1S/C26H21N7O/c1-18-22(16-30-33(18)25-9-5-6-14-27-25)26(34)32-21-12-10-20(11-13-21)31-24-15-23(28-17-29-24)19-7-3-2-4-8-19/h2-17H,1H3,(H,32,34)(H,28,29,31)
InChIKeyUGXNANQSFWQSDU-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.03
Rot. Bonds6

About 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 108744669) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID108744669
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC Name5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cnn1-c1ccccn1
InChIInChI=1S/C26H21N7O/c1-18-22(16-30-33(18)25-9-5-6-14-27-25)26(34)32-21-12-10-20(11-13-21)31-24-15-23(28-17-29-24)19-7-3-2-4-8-19/h2-17H,1H3,(H,32,34)(H,28,29,31)
InChIKeyUGXNANQSFWQSDU-UHFFFAOYSA-N
XLogP5.03
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-1-pyridin-2-yl-N-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 24825177
1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
CID 15944231
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793466
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108805329
5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 108748742
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 108744669) is 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cnn1-c1ccccn1.
What is the InChIKey of 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is UGXNANQSFWQSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c1-18-22(16-30-33(18)25-9-5-6-14-27-25)26(34)32-21-12-10-20(11-13-21)31-24-15-23(28-17-29-24)19-7-3-2-4-8-19/h2-17H,1H3,(H,32,34)(H,28,29,31).
What are the key properties of 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108744669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).