7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C21H18F3N5O3 — CID 118694179

IUPAC7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOCC1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(=O)Nc3cccnc3)cnn21
InChIInChI=1S/C21H18F3N5O3/c1-32-12-16-11-28(15-6-4-13(5-7-15)21(22,23)24)20(31)18-17(10-26-29(16)18)19(30)27-14-3-2-8-25-9-14/h2-10,16H,11-12H2,1H3,(H,27,30)
InChIKeyJSYJHNSHKPRSSY-UHFFFAOYSA-N
MW445.40 g/mol
LogP3.40
Rot. Bonds5

About 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 118694179) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID118694179
Molecular FormulaC21H18F3N5O3
Molecular Weight445.40 g/mol
Exact Mass445.14
IUPAC Name7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOCC1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(=O)Nc3cccnc3)cnn21
InChIInChI=1S/C21H18F3N5O3/c1-32-12-16-11-28(15-6-4-13(5-7-15)21(22,23)24)20(31)18-17(10-26-29(16)18)19(30)27-14-3-2-8-25-9-14/h2-10,16H,11-12H2,1H3,(H,27,30)
InChIKeyJSYJHNSHKPRSSY-UHFFFAOYSA-N
XLogP3.40
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-chloro-4-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane
CID 159244144
7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694278
(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336682
N-[5-(hydroxymethyl)-3-pyridinyl]-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 140801525
(7S)-N-[5-(hydroxymethyl)-3-pyridinyl]-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694222
N-(3-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 140801521
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-N-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
CID 158547915
methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 160580284
(7S)-N-(3-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 162262652
6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463396
(7S)-7-methyl-N-(4-methyl-3-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159328172
(7S)-7-methyl-N-(4-methylsulfonylphenyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159874290

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 118694179) is 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is COCC1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(C(=O)Nc3cccnc3)cnn21.
What is the InChIKey of 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is JSYJHNSHKPRSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c1-32-12-16-11-28(15-6-4-13(5-7-15)21(22,23)24)20(31)18-17(10-26-29(16)18)19(30)27-14-3-2-8-25-9-14/h2-10,16H,11-12H2,1H3,(H,27,30).
What are the key properties of 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 118694179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).