1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine

C21H24FN5O — CID 126785789

IUPAC1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine
SMILESCc1nn(C)c(Oc2cccnc2)c1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H24FN5O/c1-16-18(21(25(2)24-16)28-17-6-5-9-23-14-17)15-26-10-12-27(13-11-26)20-8-4-3-7-19(20)22/h3-9,14H,10-13,15H2,1-2H3
InChIKeyXKMSCHKYLVMHLB-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.38
Rot. Bonds5

About 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine

1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 126785789) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine
PubChem CID126785789
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine
SMILESCc1nn(C)c(Oc2cccnc2)c1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H24FN5O/c1-16-18(21(25(2)24-16)28-17-6-5-9-23-14-17)15-26-10-12-27(13-11-26)20-8-4-3-7-19(20)22/h3-9,14H,10-13,15H2,1-2H3
InChIKeyXKMSCHKYLVMHLB-UHFFFAOYSA-N
XLogP3.38
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4-Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine
CID 119058124
2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl}pyridine
CID 9967471
9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 25072002
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072633
(NE)-N-[[5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 25093832
Jnj-42259152
CID 51353528
1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125
4-[1-(2-Fluorophenyl)-1h-Pyrazol-4-Yl]-3-[(Piperidin-4-Yl)methoxy]pyridine
CID 119058126
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922
2-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24824062
4-[3-Fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine
CID 127052233

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine (CID 126785789) is 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine is Cc1nn(C)c(Oc2cccnc2)c1CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is XKMSCHKYLVMHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-16-18(21(25(2)24-16)28-17-6-5-9-23-14-17)15-26-10-12-27(13-11-26)20-8-4-3-7-19(20)22/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine?
1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 381.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 126785789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).