(5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H24F3N5O2 — CID 1259521

IUPAC(5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N(C)CCc4ccccn4)cc3N2)cc1
InChIInChI=1S/C23H24F3N5O2/c1-30(12-10-16-5-3-4-11-27-16)22(32)19-14-21-28-18(15-6-8-17(33-2)9-7-15)13-20(23(24,25)26)31(21)29-19/h3-9,11,14,18,20,28H,10,12-13H2,1-2H3/t18-,20+/m1/s1
InChIKeyMMIODXWDJDHKIC-QUCCMNQESA-N
MW459.47 g/mol
LogP4.26
Rot. Bonds6

About (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1259521) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1259521
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name(5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N(C)CCc4ccccn4)cc3N2)cc1
InChIInChI=1S/C23H24F3N5O2/c1-30(12-10-16-5-3-4-11-27-16)22(32)19-14-21-28-18(15-6-8-17(33-2)9-7-15)13-20(23(24,25)26)31(21)29-19/h3-9,11,14,18,20,28H,10,12-13H2,1-2H3/t18-,20+/m1/s1
InChIKeyMMIODXWDJDHKIC-QUCCMNQESA-N
XLogP4.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133809
5-(4-methoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3827987
(5S,7S)-N,5-bis(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135878988
(5R,7R)-N-(3-imidazol-1-ylpropyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136803759
(4-benzylpiperazin-1-yl)-[(5R,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135948706
(5R,7R)-5-(1,3-benzodioxol-5-yl)-N-(2-cyanoethyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135936031
ethyl 4-[(5S,7R)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate
CID 136853229
ethyl (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759666
(5S,7R)-N-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259045
(5R,7S)-N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256481
(5S,7R)-5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1038286
(5S,7R)-5-(4-chlorophenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1258126

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1259521) is (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N(C)CCc4ccccn4)cc3N2)cc1.
What is the InChIKey of (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MMIODXWDJDHKIC-QUCCMNQESA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-30(12-10-16-5-3-4-11-27-16)22(32)19-14-21-28-18(15-6-8-17(33-2)9-7-15)13-20(23(24,25)26)31(21)29-19/h3-9,11,14,18,20,28H,10,12-13H2,1-2H3/t18-,20+/m1/s1.
What are the key properties of (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1259521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).