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

C22H19ClF3N5O3 — CID 150634838

IUPAC6-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
SMILESCOC[C@H]1CC(c2ccc(C(F)(F)F)c(Cl)c2)C(=O)c2c(NC(=O)c3ccc(N)nc3)cnn21
InChIInChI=1S/C22H19ClF3N5O3/c1-34-10-13-7-14(11-2-4-15(16(23)6-11)22(24,25)26)20(32)19-17(9-29-31(13)19)30-21(33)12-3-5-18(27)28-8-12/h2-6,8-9,13-14H,7,10H2,1H3,(H2,27,28)(H,30,33)/t13-,14?/m1/s1
InChIKeyIYRBGXADYODTGU-KWCCSABGSA-N
MW493.87 g/mol
LogP4.34
Rot. Bonds5

About 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

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 (PubChem CID 150634838) has the molecular formula C22H19ClF3N5O3 and a molecular weight of 493.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID150634838
Molecular FormulaC22H19ClF3N5O3
Molecular Weight493.87 g/mol
Exact Mass493.11
IUPAC Name6-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
SMILESCOC[C@H]1CC(c2ccc(C(F)(F)F)c(Cl)c2)C(=O)c2c(NC(=O)c3ccc(N)nc3)cnn21
InChIInChI=1S/C22H19ClF3N5O3/c1-34-10-13-7-14(11-2-4-15(16(23)6-11)22(24,25)26)20(32)19-17(9-29-31(13)19)30-21(33)12-3-5-18(27)28-8-12/h2-6,8-9,13-14H,7,10H2,1H3,(H2,27,28)(H,30,33)/t13-,14?/m1/s1
InChIKeyIYRBGXADYODTGU-KWCCSABGSA-N
XLogP4.34
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.87
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
3-(benzhydrylideneamino)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-(methoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118861711
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-(tert-butylamino)-N-[(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide
CID 118693791
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 62155431
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide
CID 145008373

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC[C@H]1CC(c2ccc(C(F)(F)F)c(Cl)c2)C(=O)c2c(NC(=O)c3ccc(N)nc3)cnn21.
What is the InChIKey of 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?
The InChIKey is IYRBGXADYODTGU-KWCCSABGSA-N. The full InChI is InChI=1S/C22H19ClF3N5O3/c1-34-10-13-7-14(11-2-4-15(16(23)6-11)22(24,25)26)20(32)19-17(9-29-31(13)19)30-21(33)12-3-5-18(27)28-8-12/h2-6,8-9,13-14H,7,10H2,1H3,(H2,27,28)(H,30,33)/t13-,14?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 493.87 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 150634838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).