methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate

C19H23N5O3 — CID 95803504

IUPACmethyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1
InChIInChI=1S/C19H23N5O3/c1-12-8-17-20-9-15(16-7-13(2)22-27-16)19(24(17)21-12)14-5-4-6-23(10-14)11-18(25)26-3/h7-9,14H,4-6,10-11H2,1-3H3/t14-/m0/s1
InChIKeyJXDICQLJZUSOCX-AWEZNQCLSA-N
MW369.43 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate

methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate (PubChem CID 95803504) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate
PubChem CID95803504
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Namemethyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1
InChIInChI=1S/C19H23N5O3/c1-12-8-17-20-9-15(16-7-13(2)22-27-16)19(24(17)21-12)14-5-4-6-23(10-14)11-18(25)26-3/h7-9,14H,4-6,10-11H2,1-3H3/t14-/m0/s1
InChIKeyJXDICQLJZUSOCX-AWEZNQCLSA-N
XLogP2.35
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate (CID 95803504) is methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate is COC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1.
What is the InChIKey of methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate?
The InChIKey is JXDICQLJZUSOCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-8-17-20-9-15(16-7-13(2)22-27-16)19(24(17)21-12)14-5-4-6-23(10-14)11-18(25)26-3/h7-9,14H,4-6,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate?
methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate has a molecular weight of 369.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate is sourced from PubChem (CID 95803504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).