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

C38H26F6N10O3 — CID 159079913

IUPACpyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
SMILESNc1cnn2ccc(-c3ccccc3C(F)(F)F)nc12.O=C(Nc1cnn2ccc(-c3ccccc3C(F)(F)F)nc12)c1ccccn1.O=C(O)c1ccccn1
InChIInChI=1S/C19H12F3N5O.C13H9F3N4.C6H5NO2/c20-19(21,22)13-6-2-1-5-12(13)14-8-10-27-17(25-14)16(11-24-27)26-18(28)15-7-3-4-9-23-15;14-13(15,16)9-4-2-1-3-8(9)11-5-6-20-12(19-11)10(17)7-18-20;8-6(9)5-3-1-2-4-7-5/h1-11H,(H,26,28);1-7H,17H2;1-4H,(H,8,9)
InChIKeyKASLVYHWRYAXST-UHFFFAOYSA-N
MW784.68 g/mol
LogP7.84
Rot. Bonds5

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

pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide (PubChem CID 159079913) has the molecular formula C38H26F6N10O3 and a molecular weight of 784.68 g/mol. Its IUPAC name is pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Namepyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
PubChem CID159079913
Molecular FormulaC38H26F6N10O3
Molecular Weight784.68 g/mol
Exact Mass784.21
IUPAC Namepyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
SMILESNc1cnn2ccc(-c3ccccc3C(F)(F)F)nc12.O=C(Nc1cnn2ccc(-c3ccccc3C(F)(F)F)nc12)c1ccccn1.O=C(O)c1ccccn1
InChIInChI=1S/C19H12F3N5O.C13H9F3N4.C6H5NO2/c20-19(21,22)13-6-2-1-5-12(13)14-8-10-27-17(25-14)16(11-24-27)26-18(28)15-7-3-4-9-23-15;14-13(15,16)9-4-2-1-3-8(9)11-5-6-20-12(19-11)10(17)7-18-20;8-6(9)5-3-1-2-4-7-5/h1-11H,(H,26,28);1-7H,17H2;1-4H,(H,8,9)
InChIKeyKASLVYHWRYAXST-UHFFFAOYSA-N
XLogP7.84
TPSA178.58 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500784.68
LogP ≤ 57.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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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
US10087188, Example 29
CID 121455807
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-(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
6-(6-((trans)-4-Aminocyclohexylamino)-3-(3-fluoropyridin-4-ylcarbamoyl)imidazo[1,2-b]pyridazin-8-ylamino)nicotinic acid
CID 59624473

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide (CID 159079913) is pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide is Nc1cnn2ccc(-c3ccccc3C(F)(F)F)nc12.O=C(Nc1cnn2ccc(-c3ccccc3C(F)(F)F)nc12)c1ccccn1.O=C(O)c1ccccn1.
What is the InChIKey of pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The InChIKey is KASLVYHWRYAXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O.C13H9F3N4.C6H5NO2/c20-19(21,22)13-6-2-1-5-12(13)14-8-10-27-17(25-14)16(11-24-27)26-18(28)15-7-3-4-9-23-15;14-13(15,16)9-4-2-1-3-8(9)11-5-6-20-12(19-11)10(17)7-18-20;8-6(9)5-3-1-2-4-7-5/h1-11H,(H,26,28);1-7H,17H2;1-4H,(H,8,9).
What are the key properties of pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide has a molecular weight of 784.68 g/mol, XLogP of 7.84, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboxylic acid;5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-amine;N-[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159079913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).