2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid

C40H30F6N10O3 — CID 158877196

IUPAC2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid
SMILESCc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1N.Cc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1NC(=O)c1ccccn1.O=C(O)c1ccccn1
InChIInChI=1S/C20H14F3N5O.C14H11F3N4.C6H5NO2/c1-12-17(26-19(29)16-8-4-5-10-24-16)18-25-15(9-11-28(18)27-12)13-6-2-3-7-14(13)20(21,22)23;1-8-12(18)13-19-11(6-7-21(13)20-8)9-4-2-3-5-10(9)14(15,16)17;8-6(9)5-3-1-2-4-7-5/h2-11H,1H3,(H,26,29);2-7H,18H2,1H3;1-4H,(H,8,9)
InChIKeyJCOWHDCFKBGYDA-UHFFFAOYSA-N
MW812.74 g/mol
LogP8.46
Rot. Bonds5

About 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid

2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid (PubChem CID 158877196) has the molecular formula C40H30F6N10O3 and a molecular weight of 812.74 g/mol. Its IUPAC name is 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid
PubChem CID158877196
Molecular FormulaC40H30F6N10O3
Molecular Weight812.74 g/mol
Exact Mass812.24
IUPAC Name2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid
SMILESCc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1N.Cc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1NC(=O)c1ccccn1.O=C(O)c1ccccn1
InChIInChI=1S/C20H14F3N5O.C14H11F3N4.C6H5NO2/c1-12-17(26-19(29)16-8-4-5-10-24-16)18-25-15(9-11-28(18)27-12)13-6-2-3-7-14(13)20(21,22)23;1-8-12(18)13-19-11(6-7-21(13)20-8)9-4-2-3-5-10(9)14(15,16)17;8-6(9)5-3-1-2-4-7-5/h2-11H,1H3,(H,26,29);2-7H,18H2,1H3;1-4H,(H,8,9)
InChIKeyJCOWHDCFKBGYDA-UHFFFAOYSA-N
XLogP8.46
TPSA178.58 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500812.74
LogP ≤ 58.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10759793, Example 79
CID 124125740
5-[8-morpholin-4-yl-2-[(E)-2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 117728355
US9862707, Example 8
CID 129038078
5-[3-[4-Carboxy-2-fluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]phenyl]propyl]-3-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)pyridine-2-carboxylic acid
CID 162752123
5-[3-[4-Carboxy-2-fluoro-5-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)phenyl]propyl]-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 162752156
1,4-Diphenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328488
US10336761, Example 185
CID 135262329
4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 71709461
2-(1-ethyl-1H-pyrazol-5-yl)-10-methyl-8-(trifluoromethyl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-4-carboxylic acid
CID 19916103
4-(1-Ethyl-3-{3-[({[4-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenyl}-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic Acid
CID 24739542
6-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 58335516
5-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 58335758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid?
The IUPAC name of 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid (CID 158877196) is 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid?
The canonical SMILES for 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid is Cc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1N.Cc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1NC(=O)c1ccccn1.O=C(O)c1ccccn1.
What is the InChIKey of 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid?
The InChIKey is JCOWHDCFKBGYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O.C14H11F3N4.C6H5NO2/c1-12-17(26-19(29)16-8-4-5-10-24-16)18-25-15(9-11-28(18)27-12)13-6-2-3-7-14(13)20(21,22)23;1-8-12(18)13-19-11(6-7-21(13)20-8)9-4-2-3-5-10(9)14(15,16)17;8-6(9)5-3-1-2-4-7-5/h2-11H,1H3,(H,26,29);2-7H,18H2,1H3;1-4H,(H,8,9).
What are the key properties of 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid?
2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid has a molecular weight of 812.74 g/mol, XLogP of 8.46, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;pyridine-2-carboxylic acid is sourced from PubChem (CID 158877196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).