[5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C25H34FN5O — CID 45160335

IUPAC[5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCC2)c2c1CCC(N1CCN(c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C25H34FN5O/c1-2-11-31-23-10-9-21(18-22(23)24(27-31)25(32)30-12-3-4-13-30)29-16-14-28(15-17-29)20-7-5-19(26)6-8-20/h5-8,21H,2-4,9-18H2,1H3
InChIKeyHTZKKSNKHBUZOI-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.35
Rot. Bonds5

About [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45160335) has the molecular formula C25H34FN5O and a molecular weight of 439.58 g/mol. Its IUPAC name is [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID45160335
Molecular FormulaC25H34FN5O
Molecular Weight439.58 g/mol
Exact Mass439.27
IUPAC Name[5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCC2)c2c1CCC(N1CCN(c3ccc(F)cc3)CC1)C2
InChIInChI=1S/C25H34FN5O/c1-2-11-31-23-10-9-21(18-22(23)24(27-31)25(32)30-12-3-4-13-30)29-16-14-28(15-17-29)20-7-5-19(26)6-8-20/h5-8,21H,2-4,9-18H2,1H3
InChIKeyHTZKKSNKHBUZOI-UHFFFAOYSA-N
XLogP3.35
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methoxypiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 134573901
[5-(4-cyclohexylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45165351
(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone
CID 45165359
[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26140211
[5-[2-(4-morpholin-4-ylphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 167341646
(1-ethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazol-3-yl)-piperidin-1-ylmethanone
CID 45164151
[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45161837
[(5S)-1-methyl-5-piperidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26220935
azepan-1-yl-(1-methyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 45164485
azepan-1-yl-[5-(4-ethylpiperazin-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45160910
(5-hydroxy-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone
CID 131892611
1-[4-[3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]piperazin-1-yl]ethanone
CID 45162099

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 45160335) is [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is CCCn1nc(C(=O)N2CCCC2)c2c1CCC(N1CCN(c3ccc(F)cc3)CC1)C2.
What is the InChIKey of [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HTZKKSNKHBUZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O/c1-2-11-31-23-10-9-21(18-22(23)24(27-31)25(32)30-12-3-4-13-30)29-16-14-28(15-17-29)20-7-5-19(26)6-8-20/h5-8,21H,2-4,9-18H2,1H3.
What are the key properties of [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 439.58 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-fluorophenyl)piperazin-1-yl]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45160335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).