N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H15F3N6O3 — CID 138557383

IUPACN-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccnc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n1
InChIInChI=1S/C20H15F3N6O3/c1-10-13(17(30)27-19-24-9-8-12(26-19)32-2)18(31)29-16(25-10)14(11-6-4-3-5-7-11)15(28-29)20(21,22)23/h3-9,28H,1-2H3,(H,24,26,27,30)
InChIKeyLCUWOTLAGGCMDE-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.07
Rot. Bonds4

About N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 138557383) has the molecular formula C20H15F3N6O3 and a molecular weight of 444.37 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID138557383
Molecular FormulaC20H15F3N6O3
Molecular Weight444.37 g/mol
Exact Mass444.12
IUPAC NameN-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccnc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n1
InChIInChI=1S/C20H15F3N6O3/c1-10-13(17(30)27-19-24-9-8-12(26-19)32-2)18(31)29-16(25-10)14(11-6-4-3-5-7-11)15(28-29)20(21,22)23/h3-9,28H,1-2H3,(H,24,26,27,30)
InChIKeyLCUWOTLAGGCMDE-UHFFFAOYSA-N
XLogP3.07
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-N-[6-[(4-methoxypyrimidin-2-yl)amino]hex-3-ynyl]-2-oxopyridine-3-carboxamide
CID 59362387
1-[(3,4-difluorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pent-2-ynyl]-2-oxopyridine-3-carboxamide
CID 59362434
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-[(4-methoxypyrimidin-2-yl)amino]hex-3-ynyl]-2-oxopyridine-3-carboxamide
CID 134185439
N-(4-methoxy-2-pyridinyl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 155883869
N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 155883909
1-[(3-fluorophenyl)methyl]-N-[6-[(4-methoxypyrimidin-2-yl)amino]hexyl]-2-oxopyridine-3-carboxamide
CID 59362591
1-[(3,4-difluorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide
CID 59362679
5-bromo-1-[(3-fluorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide
CID 123331125
N-(4-methoxy-2-pyridinyl)-2,5-dimethyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 155883910
N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362356
5-chloro-1-[(3-fluorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide
CID 59362532
1-[(3,4-difluorophenyl)methyl]-N-[3-[(4-methoxypyrimidin-2-yl)amino]propyl]-2-oxopyridine-3-carboxamide
CID 70881510

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 138557383) is N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccnc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n1.
What is the InChIKey of N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LCUWOTLAGGCMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O3/c1-10-13(17(30)27-19-24-9-8-12(26-19)32-2)18(31)29-16(25-10)14(11-6-4-3-5-7-11)15(28-29)20(21,22)23/h3-9,28H,1-2H3,(H,24,26,27,30).
What are the key properties of N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 444.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-2-yl)-5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 138557383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).