(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone

C21H22FN5O — CID 92566200

IUPAC(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCn1nc(-c2ccncc2)cc1CN1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H22FN5O/c1-25-19(14-20(24-25)16-5-7-23-8-6-16)15-26-9-11-27(12-10-26)21(28)17-3-2-4-18(22)13-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyAEVPUMITQNJULA-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.58
Rot. Bonds4

About (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone

(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 92566200) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID92566200
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCn1nc(-c2ccncc2)cc1CN1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H22FN5O/c1-25-19(14-20(24-25)16-5-7-23-8-6-16)15-26-9-11-27(12-10-26)21(28)17-3-2-4-18(22)13-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyAEVPUMITQNJULA-UHFFFAOYSA-N
XLogP2.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958152
(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958151
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
(3-fluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780114
4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 25095820
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one
CID 122566786
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone;oxalic acid
CID 17366433
(3-fluorophenyl)-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 42879634
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone (CID 92566200) is (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone is Cn1nc(-c2ccncc2)cc1CN1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is AEVPUMITQNJULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-25-19(14-20(24-25)16-5-7-23-8-6-16)15-26-9-11-27(12-10-26)21(28)17-3-2-4-18(22)13-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 379.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 92566200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).