(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C23H23FN4O3 — CID 95806143

IUPAC(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2cn(C)nc21
InChIInChI=1S/C23H23FN4O3/c1-27-12-16-13-28(21(29)11-15-7-9-17(24)10-8-15)14-18(22(16)26-27)23(30)25-19-5-3-4-6-20(19)31-2/h3-10,12,18H,11,13-14H2,1-2H3,(H,25,30)/t18-/m0/s1
InChIKeyYWIGOGAATAQODT-SFHVURJKSA-N
MW422.46 g/mol
LogP2.88
Rot. Bonds5

About (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 95806143) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID95806143
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2cn(C)nc21
InChIInChI=1S/C23H23FN4O3/c1-27-12-16-13-28(21(29)11-15-7-9-17(24)10-8-15)14-18(22(16)26-27)23(30)25-19-5-3-4-6-20(19)31-2/h3-10,12,18H,11,13-14H2,1-2H3,(H,25,30)/t18-/m0/s1
InChIKeyYWIGOGAATAQODT-SFHVURJKSA-N
XLogP2.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806138
N-(2-methoxyphenyl)-2-methyl-5-(pyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110084982
5-[2-(4-methoxyphenyl)acetyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248145
N-(2-methoxyphenyl)-2-methyl-5-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110084985
(7S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-phenylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 129360922
(7R)-N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxy-3-methylphenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 124995797
5-(cyclopentanecarbonyl)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248188
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
5-benzoyl-N-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248176
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919

Frequently Asked Questions

What is the IUPAC name of (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 95806143) is (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is COc1ccccc1NC(=O)[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2cn(C)nc21.
What is the InChIKey of (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is YWIGOGAATAQODT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-27-12-16-13-28(21(29)11-15-7-9-17(24)10-8-15)14-18(22(16)26-27)23(30)25-19-5-3-4-6-20(19)31-2/h3-10,12,18H,11,13-14H2,1-2H3,(H,25,30)/t18-/m0/s1.
What are the key properties of (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
(7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-[2-(4-fluorophenyl)acetyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 95806143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).