3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole

C23H27N7O — CID 95856109

IUPAC3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole
SMILESCCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C23H27N7O/c1-4-19-17(3)25-22-14-20(21-13-16(2)31-27-21)26-30(22)23(19)29-11-9-28(10-12-29)15-18-7-5-6-8-24-18/h5-8,13-14H,4,9-12,15H2,1-3H3
InChIKeyKSAPLCHZUYCGFZ-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.28
Rot. Bonds5

About 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole

3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole (PubChem CID 95856109) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole
PubChem CID95856109
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole
SMILESCCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C23H27N7O/c1-4-19-17(3)25-22-14-20(21-13-16(2)31-27-21)26-30(22)23(19)29-11-9-28(10-12-29)15-18-7-5-6-8-24-18/h5-8,13-14H,4,9-12,15H2,1-3H3
InChIKeyKSAPLCHZUYCGFZ-UHFFFAOYSA-N
XLogP3.28
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole (CID 95856109) is 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole is CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is KSAPLCHZUYCGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-19-17(3)25-22-14-20(21-13-16(2)31-27-21)26-30(22)23(19)29-11-9-28(10-12-29)15-18-7-5-6-8-24-18/h5-8,13-14H,4,9-12,15H2,1-3H3.
What are the key properties of 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole?
3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 417.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-ethyl-5-methyl-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 95856109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).