(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone

C23H28N6O3 — CID 42397311

IUPAC(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone
SMILESCOCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C23H28N6O3/c1-31-16-20-18(22(30)28-12-10-27(11-13-28)17-5-2-3-6-17)15-25-29(20)23-24-9-8-19(26-23)21-7-4-14-32-21/h4,7-9,14-15,17H,2-3,5-6,10-13,16H2,1H3
InChIKeyDUGXVCDCFQTVCK-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.77
Rot. Bonds6

About (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone (PubChem CID 42397311) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone
PubChem CID42397311
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone
SMILESCOCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C23H28N6O3/c1-31-16-20-18(22(30)28-12-10-27(11-13-28)17-5-2-3-6-17)15-25-29(20)23-24-9-8-19(26-23)21-7-4-14-32-21/h4,7-9,14-15,17H,2-3,5-6,10-13,16H2,1H3
InChIKeyDUGXVCDCFQTVCK-UHFFFAOYSA-N
XLogP2.77
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42472051
[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 26357972
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42433017
[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45244179
[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 45166845
[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45234914
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 42359038
[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 26347316
[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 42397677
(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45230539
[3-(diethylamino)pyrrolidin-1-yl]-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45240739
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 26399593

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone (CID 42397311) is (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone is COCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1nccc(-c2ccco2)n1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone?
The InChIKey is DUGXVCDCFQTVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-31-16-20-18(22(30)28-12-10-27(11-13-28)17-5-2-3-6-17)15-25-29(20)23-24-9-8-19(26-23)21-7-4-14-32-21/h4,7-9,14-15,17H,2-3,5-6,10-13,16H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone has a molecular weight of 436.52 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 42397311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).