6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid

C25H20N6O2 — CID 91188728

IUPAC6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)ccc1-c1cnn2c(N)c(C)c(-c3ccc(C(=O)O)cn3)nc12
InChIInChI=1S/C25H20N6O2/c1-14-22(21-10-8-17(12-27-21)25(32)33)30-24-19(13-28-31(24)23(14)26)18-9-11-20(29-15(18)2)16-6-4-3-5-7-16/h3-13H,26H2,1-2H3,(H,32,33)
InChIKeySUXXFBHDEQYZBW-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.42
Rot. Bonds4

About 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid

6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid (PubChem CID 91188728) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid
PubChem CID91188728
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)ccc1-c1cnn2c(N)c(C)c(-c3ccc(C(=O)O)cn3)nc12
InChIInChI=1S/C25H20N6O2/c1-14-22(21-10-8-17(12-27-21)25(32)33)30-24-19(13-28-31(24)23(14)26)18-9-11-20(29-15(18)2)16-6-4-3-5-7-16/h3-13H,26H2,1-2H3,(H,32,33)
InChIKeySUXXFBHDEQYZBW-UHFFFAOYSA-N
XLogP4.42
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199142
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
5-{2-(Ethylcarbamoyl)-4-[3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]-1h-Pyrrolo[2,3-B]pyridin-5-Yl}pyridine-3-Carboxylic Acid
CID 57411983
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
5-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710534
4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 845965
Ethyl 4-(4-hydroxyanilino)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11476465
4-(4-(Pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-ylamino)benzoic acid
CID 10308706

Frequently Asked Questions

What is the IUPAC name of 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid (CID 91188728) is 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid is Cc1nc(-c2ccccc2)ccc1-c1cnn2c(N)c(C)c(-c3ccc(C(=O)O)cn3)nc12.
What is the InChIKey of 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid?
The InChIKey is SUXXFBHDEQYZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-14-22(21-10-8-17(12-27-21)25(32)33)30-24-19(13-28-31(24)23(14)26)18-9-11-20(29-15(18)2)16-6-4-3-5-7-16/h3-13H,26H2,1-2H3,(H,32,33).
What are the key properties of 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid?
6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid has a molecular weight of 436.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-amino-6-methyl-3-(2-methyl-6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 91188728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).