N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H25FN4O3 — CID 53066551

IUPACN-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)cc1
InChIInChI=1S/C24H25FN4O3/c1-28-21-11-12-29(22(30)13-16-5-9-19(32-2)10-6-16)15-20(21)23(27-28)24(31)26-14-17-3-7-18(25)8-4-17/h3-10H,11-15H2,1-2H3,(H,26,31)
InChIKeyWRZGIWRVESGKPB-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.63
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066551) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066551
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)cc1
InChIInChI=1S/C24H25FN4O3/c1-28-21-11-12-29(22(30)13-16-5-9-19(32-2)10-6-16)15-20(21)23(27-28)24(31)26-14-17-3-7-18(25)8-4-17/h3-10H,11-15H2,1-2H3,(H,26,31)
InChIKeyWRZGIWRVESGKPB-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tolfenpyrad
CID 10110536
1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]phenyl}phenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10116752
1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318549
1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23635500
N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}-N-methylacetamide
CID 23635264
PEX14-PEX5 Inhibitor-5
CID 130375325
1-(4-methoxyphenyl)-6-(4-(1-((methylamino)methyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 9890878
1-(4-Methoxyphenyl)-6-[4-[2-(methylaminomethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10118144
6-(4-(1-(aminomethyl)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 44560883
6-(4-(1-((isopropylamino)methyl)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 44560918
6-(4-(1-(dimethylamino)cyclopropyl)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 44581199
2-(1-(4-(1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridin-6(7H)-yl)phenyl)cyclopropyl)acetamide
CID 44581326

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066551) is N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CC(=O)N2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WRZGIWRVESGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-28-21-11-12-29(22(30)13-16-5-9-19(32-2)10-6-16)15-20(21)23(27-28)24(31)26-14-17-3-7-18(25)8-4-17/h3-10H,11-15H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenyl)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).