[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C21H18FN5O2 — CID 53333640

IUPAC[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C21H18FN5O2/c22-16-5-3-15(4-6-16)17-14-18-20(23-7-8-27(18)24-17)25-9-11-26(12-10-25)21(28)19-2-1-13-29-19/h1-8,13-14H,9-12H2
InChIKeySCULJHQGRQYZTL-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.09
Rot. Bonds3

About [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 53333640) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID53333640
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C21H18FN5O2/c22-16-5-3-15(4-6-16)17-14-18-20(23-7-8-27(18)24-17)25-9-11-26(12-10-25)21(28)19-2-1-13-29-19/h1-8,13-14H,9-12H2
InChIKeySCULJHQGRQYZTL-UHFFFAOYSA-N
XLogP3.09
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 50796471
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 165434167
[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1441427
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 53333641
N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 50797136
[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 126473544
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797416
[4-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46359497
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 53333640) is [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SCULJHQGRQYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-16-5-3-15(4-6-16)17-14-18-20(23-7-8-27(18)24-17)25-9-11-26(12-10-25)21(28)19-2-1-13-29-19/h1-8,13-14H,9-12H2.
What are the key properties of [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 391.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 53333640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).