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

C24H25FN4O3 — CID 95806138

IUPAC(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)Cc2cn(C)nc21
InChIInChI=1S/C24H25FN4O3/c1-28-13-17-14-29(22(30)12-9-16-7-10-18(25)11-8-16)15-19(23(17)27-28)24(31)26-20-5-3-4-6-21(20)32-2/h3-8,10-11,13,19H,9,12,14-15H2,1-2H3,(H,26,31)/t19-/m1/s1
InChIKeyNHXSMHMNOOMUGR-LJQANCHMSA-N
MW436.49 g/mol
LogP3.27
Rot. Bonds6

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

(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 95806138) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID95806138
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)Cc2cn(C)nc21
InChIInChI=1S/C24H25FN4O3/c1-28-13-17-14-29(22(30)12-9-16-7-10-18(25)11-8-16)15-19(23(17)27-28)24(31)26-20-5-3-4-6-21(20)32-2/h3-8,10-11,13,19H,9,12,14-15H2,1-2H3,(H,26,31)/t19-/m1/s1
InChIKeyNHXSMHMNOOMUGR-LJQANCHMSA-N
XLogP3.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 95806138) is (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is COc1ccccc1NC(=O)[C@@H]1CN(C(=O)CCc2ccc(F)cc2)Cc2cn(C)nc21.
What is the InChIKey of (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is NHXSMHMNOOMUGR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-28-13-17-14-29(22(30)12-9-16-7-10-18(25)11-8-16)15-19(23(17)27-28)24(31)26-20-5-3-4-6-21(20)32-2/h3-8,10-11,13,19H,9,12,14-15H2,1-2H3,(H,26,31)/t19-/m1/s1.
What are the key properties of (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 95806138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).