1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone

C26H28FN5O3 — CID 46076126

IUPAC1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1
InChIInChI=1S/C26H28FN5O3/c1-35-23-5-3-2-4-18(23)16-24(33)32-11-10-22-21(17-32)25(29-28-22)26(34)31-14-12-30(13-15-31)20-8-6-19(27)7-9-20/h2-9H,10-17H2,1H3,(H,28,29)
InChIKeyLBICWJWKNCBKRD-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.65
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone

1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 46076126) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID46076126
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1
InChIInChI=1S/C26H28FN5O3/c1-35-23-5-3-2-4-18(23)16-24(33)32-11-10-22-21(17-32)25(29-28-22)26(34)31-14-12-30(13-15-31)20-8-6-19(27)7-9-20/h2-9H,10-17H2,1H3,(H,28,29)
InChIKeyLBICWJWKNCBKRD-UHFFFAOYSA-N
XLogP2.65
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(4-nitrophenyl)ethanone
CID 42874621
5-[2-(2-methoxyphenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076050
(3,5-dimethylphenyl)-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076122
2-(3-methylphenyl)-1-[3-(4-phenylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 46076144
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
CID 42874623
2-(2-chlorophenyl)-1-[3-(4-propan-2-ylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 46076113
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 84583530
furan-3-yl-[3-(4-phenylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076151
1-[3-(4-benzylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-nitrophenyl)ethanone
CID 46075998
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
1-[3-(4-ethylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone
CID 46076021

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone (CID 46076126) is 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is LBICWJWKNCBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-35-23-5-3-2-4-18(23)16-24(33)32-11-10-22-21(17-32)25(29-28-22)26(34)31-14-12-30(13-15-31)20-8-6-19(27)7-9-20/h2-9H,10-17H2,1H3,(H,28,29).
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone?
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 477.54 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 46076126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).