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

C23H24FN5O2S — CID 42874623

IUPAC[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1
InChIInChI=1S/C23H24FN5O2S/c1-15-7-13-32-21(15)23(31)29-8-6-19-18(14-29)20(26-25-19)22(30)28-11-9-27(10-12-28)17-4-2-16(24)3-5-17/h2-5,7,13H,6,8-12,14H2,1H3,(H,25,26)
InChIKeyVUEPDBNWQMWAIC-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.08
Rot. Bonds3

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

[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 42874623) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID42874623
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1
InChIInChI=1S/C23H24FN5O2S/c1-15-7-13-32-21(15)23(31)29-8-6-19-18(14-29)20(26-25-19)22(30)28-11-9-27(10-12-28)17-4-2-16(24)3-5-17/h2-5,7,13H,6,8-12,14H2,1H3,(H,25,26)
InChIKeyVUEPDBNWQMWAIC-UHFFFAOYSA-N
XLogP3.08
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076122
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
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
furan-3-yl-[3-(4-phenylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076151
5-(4-fluorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914416
1-[4-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46921350
2-(3-methylphenyl)-1-[3-(4-phenylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 46076144
1-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenylprop-2-en-1-one
CID 171136434
13-fluoro-5-(3-methylthiophene-2-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91632591
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20906544

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [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) is [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is VUEPDBNWQMWAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-15-7-13-32-21(15)23(31)29-8-6-19-18(14-29)20(26-25-19)22(30)28-11-9-27(10-12-28)17-4-2-16(24)3-5-17/h2-5,7,13H,6,8-12,14H2,1H3,(H,25,26).
What are the key properties of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 453.54 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 42874623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).