(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C21H22FN5O2 — CID 95822817

IUPAC(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)cnn1C
InChIInChI=1S/C21H22FN5O2/c1-14-18(13-25-26(14)2)21(28)27-11-7-15(8-12-27)19-20(24-10-9-23-19)29-17-5-3-16(22)4-6-17/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
InChIKeyXZKSRIICNDIISO-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.47
Rot. Bonds4

About (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95822817) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95822817
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)cnn1C
InChIInChI=1S/C21H22FN5O2/c1-14-18(13-25-26(14)2)21(28)27-11-7-15(8-12-27)19-20(24-10-9-23-19)29-17-5-3-16(22)4-6-17/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
InChIKeyXZKSRIICNDIISO-UHFFFAOYSA-N
XLogP3.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826
[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone
CID 124975201
(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95823174
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
ethyl (3S)-3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate
CID 51936842
[4-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92618214
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822283

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 95822817) is (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(c3nccnc3Oc3ccc(F)cc3)CC2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is XZKSRIICNDIISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14-18(13-25-26(14)2)21(28)27-11-7-15(8-12-27)19-20(24-10-9-23-19)29-17-5-3-16(22)4-6-17/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95822817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).