furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C21H20N6O2 — CID 44968162

IUPACfuran-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3ccncc3)cc2n1
InChIInChI=1S/C21H20N6O2/c1-15-12-20(25-7-9-26(10-8-25)21(28)17-4-11-29-14-17)27-19(23-15)13-18(24-27)16-2-5-22-6-3-16/h2-6,11-14H,7-10H2,1H3
InChIKeyXOVATCRFGHQKQA-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.66
Rot. Bonds3

About furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 44968162) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID44968162
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Namefuran-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3ccncc3)cc2n1
InChIInChI=1S/C21H20N6O2/c1-15-12-20(25-7-9-26(10-8-25)21(28)17-4-11-29-14-17)27-19(23-15)13-18(24-27)16-2-5-22-6-3-16/h2-6,11-14H,7-10H2,1H3
InChIKeyXOVATCRFGHQKQA-UHFFFAOYSA-N
XLogP2.66
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 44607977
[4-[2-(3-chlorophenyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 44629742
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087781
[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
CID 44602404
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 133273983
7-[4-(3-chlorophenyl)piperazin-1-yl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 4144309
furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47381052
5-methyl-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270537
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1441427

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 44968162) is furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3ccncc3)cc2n1.
What is the InChIKey of furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is XOVATCRFGHQKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-15-12-20(25-7-9-26(10-8-25)21(28)17-4-11-29-14-17)27-19(23-15)13-18(24-27)16-2-5-22-6-3-16/h2-6,11-14H,7-10H2,1H3.
What are the key properties of furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 388.43 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 44968162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).