6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide

C22H20F3N5O3 — CID 151812904

IUPAC6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
SMILESCOCC1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(N)nc3)cnn21
InChIInChI=1S/C22H20F3N5O3/c1-33-11-15-8-16(12-2-5-14(6-3-12)22(23,24)25)20(31)19-17(10-28-30(15)19)29-21(32)13-4-7-18(26)27-9-13/h2-7,9-10,15-16H,8,11H2,1H3,(H2,26,27)(H,29,32)
InChIKeySAZKCDHXPDGRII-UHFFFAOYSA-N
MW459.43 g/mol
LogP3.69
Rot. Bonds5

About 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide

6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 151812904) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
PubChem CID151812904
Molecular FormulaC22H20F3N5O3
Molecular Weight459.43 g/mol
Exact Mass459.15
IUPAC Name6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
SMILESCOCC1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(N)nc3)cnn21
InChIInChI=1S/C22H20F3N5O3/c1-33-11-15-8-16(12-2-5-14(6-3-12)22(23,24)25)20(31)19-17(10-28-30(15)19)29-21(32)13-4-7-18(26)27-9-13/h2-7,9-10,15-16H,8,11H2,1H3,(H2,26,27)(H,29,32)
InChIKeySAZKCDHXPDGRII-UHFFFAOYSA-N
XLogP3.69
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-amino-N-[(7R)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
CID 150634838
2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide
CID 150371350
5-fluoro-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-2-carboxamide
CID 151400946
6-methoxy-N-[7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 145008379
(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 135369373
(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157410456
6-amino-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridazine-3-carboxamide
CID 118693839
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693863
N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
CID 151300976
6-amino-N-[(7S)-5-[3-cyano-4-(trifluoromethyl)phenyl]-7-nitroso-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 162574503
7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694278

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide (CID 151812904) is 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide is COCC1CC(c2ccc(C(F)(F)F)cc2)C(=O)c2c(NC(=O)c3ccc(N)nc3)cnn21.
What is the InChIKey of 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide?
The InChIKey is SAZKCDHXPDGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c1-33-11-15-8-16(12-2-5-14(6-3-12)22(23,24)25)20(31)19-17(10-28-30(15)19)29-21(32)13-4-7-18(26)27-9-13/h2-7,9-10,15-16H,8,11H2,1H3,(H2,26,27)(H,29,32).
What are the key properties of 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide?
6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 459.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 151812904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).