5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

C20H21ClN6O — CID 35788524

IUPAC5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc4c(Cl)c(C)nn4c4ccccc34)CC2)on1
InChIInChI=1S/C20H21ClN6O/c1-13-11-15(28-24-13)12-25-7-9-26(10-8-25)19-16-5-3-4-6-17(16)27-20(22-19)18(21)14(2)23-27/h3-6,11H,7-10,12H2,1-2H3
InChIKeyUGWRSBAFSSZFHV-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.46
Rot. Bonds3

About 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 35788524) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID35788524
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc4c(Cl)c(C)nn4c4ccccc34)CC2)on1
InChIInChI=1S/C20H21ClN6O/c1-13-11-15(28-24-13)12-25-7-9-26(10-8-25)19-16-5-3-4-6-17(16)27-20(22-19)18(21)14(2)23-27/h3-6,11H,7-10,12H2,1-2H3
InChIKeyUGWRSBAFSSZFHV-UHFFFAOYSA-N
XLogP3.46
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 35788524) is 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3nc4c(Cl)c(C)nn4c4ccccc34)CC2)on1.
What is the InChIKey of 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is UGWRSBAFSSZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-13-11-15(28-24-13)12-25-7-9-26(10-8-25)19-16-5-3-4-6-17(16)27-20(22-19)18(21)14(2)23-27/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 396.88 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 35788524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).