1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C24H22FN5O2 — CID 141390171

IUPAC1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(C3=CCCCN3)cc1)C2=O
InChIInChI=1S/C24H22FN5O2/c25-16-6-10-18(11-7-16)30-22-19(21(28-30)23(26)31)12-14-29(24(22)32)17-8-4-15(5-9-17)20-3-1-2-13-27-20/h3-11,27H,1-2,12-14H2,(H2,26,31)
InChIKeyDMTDYTQNDIPNBX-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.04
Rot. Bonds4

About 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 141390171) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID141390171
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(C3=CCCCN3)cc1)C2=O
InChIInChI=1S/C24H22FN5O2/c25-16-6-10-18(11-7-16)30-22-19(21(28-30)23(26)31)12-14-29(24(22)32)17-8-4-15(5-9-17)20-3-1-2-13-27-20/h3-11,27H,1-2,12-14H2,(H2,26,31)
InChIKeyDMTDYTQNDIPNBX-UHFFFAOYSA-N
XLogP3.04
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
6-(4-iodophenyl)-7-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59016559
ethane;1-(4-fluorophenyl)-6-[4-[formyl(pentyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144843461
ethane;1-(4-methylsulfanylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144843507
6-[4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N-hydroxyanilino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 126495801
1-(4-fluoro-2-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087043
1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122498653
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide
CID 157057905
1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020077
1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-(3-fluoro-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 86300549

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 141390171) is 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(C3=CCCCN3)cc1)C2=O.
What is the InChIKey of 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is DMTDYTQNDIPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-16-6-10-18(11-7-16)30-22-19(21(28-30)23(26)31)12-14-29(24(22)32)17-8-4-15(5-9-17)20-3-1-2-13-27-20/h3-11,27H,1-2,12-14H2,(H2,26,31).
What are the key properties of 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-oxo-6-[4-(1,2,3,4-tetrahydropyridin-6-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 141390171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).