furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone

C23H21N5O2 — CID 20875746

IUPACfuran-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1
InChIInChI=1S/C23H21N5O2/c29-23(21-6-3-15-30-21)28-13-11-27(12-14-28)22-19-5-2-1-4-18(19)20(25-26-22)16-17-7-9-24-10-8-17/h1-10,15H,11-14,16H2
InChIKeyGKDMOBNFVXLNNB-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.17
Rot. Bonds4

About furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone (PubChem CID 20875746) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone
PubChem CID20875746
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Namefuran-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1
InChIInChI=1S/C23H21N5O2/c29-23(21-6-3-15-30-21)28-13-11-27(12-14-28)22-19-5-2-1-4-18(19)20(25-26-22)16-17-7-9-24-10-8-17/h1-10,15H,11-14,16H2
InChIKeyGKDMOBNFVXLNNB-UHFFFAOYSA-N
XLogP3.17
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121393
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91964872
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158129
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
furan-2-yl-[4-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone;hydron;chloride
CID 664121
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
CID 56859365
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080929

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone (CID 20875746) is furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2nnc(Cc3ccncc3)c3ccccc23)CC1.
What is the InChIKey of furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone?
The InChIKey is GKDMOBNFVXLNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(21-6-3-15-30-21)28-13-11-27(12-14-28)22-19-5-2-1-4-18(19)20(25-26-22)16-17-7-9-24-10-8-17/h1-10,15H,11-14,16H2.
What are the key properties of furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone has a molecular weight of 399.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 20875746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).