furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C22H21N5O2 — CID 18511368

IUPACfuran-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C22H21N5O2/c1-15-23-18-14-17(16-6-3-2-4-7-16)25-20(18)21(24-15)26-9-11-27(12-10-26)22(28)19-8-5-13-29-19/h2-8,13-14,25H,9-12H2,1H3
InChIKeyMLGVAEOIGXBYOU-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.49
Rot. Bonds3

About furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 18511368) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID18511368
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Namefuran-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C22H21N5O2/c1-15-23-18-14-17(16-6-3-2-4-7-16)25-20(18)21(24-15)26-9-11-27(12-10-26)22(28)19-8-5-13-29-19/h2-8,13-14,25H,9-12H2,1H3
InChIKeyMLGVAEOIGXBYOU-UHFFFAOYSA-N
XLogP3.49
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
furan-2-yl-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1466660
furan-2-yl-[4-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone;hydron;chloride
CID 664121
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42802463
2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile
CID 857474
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
1-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone
CID 2192024
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135448588
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 18511368) is furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is MLGVAEOIGXBYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-23-18-14-17(16-6-3-2-4-7-16)25-20(18)21(24-15)26-9-11-27(12-10-26)22(28)19-8-5-13-29-19/h2-8,13-14,25H,9-12H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 387.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18511368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).