N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide

C23H32N6O3 — CID 46950870

IUPACN-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
SMILESCCOCCCNC(=O)CN1CCCC(c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1
InChIInChI=1S/C23H32N6O3/c1-4-31-10-6-8-24-22(30)15-28-9-5-7-18(14-28)23-19(20-11-17(3)27-32-20)13-25-21-12-16(2)26-29(21)23/h11-13,18H,4-10,14-15H2,1-3H3,(H,24,30)
InChIKeyGTYSEBNXUVPXJP-UHFFFAOYSA-N
MW440.55 g/mol
LogP2.72
Rot. Bonds9

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

N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide (PubChem CID 46950870) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
PubChem CID46950870
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC NameN-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
SMILESCCOCCCNC(=O)CN1CCCC(c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1
InChIInChI=1S/C23H32N6O3/c1-4-31-10-6-8-24-22(30)15-28-9-5-7-18(14-28)23-19(20-11-17(3)27-32-20)13-25-21-12-16(2)26-29(21)23/h11-13,18H,4-10,14-15H2,1-3H3,(H,24,30)
InChIKeyGTYSEBNXUVPXJP-UHFFFAOYSA-N
XLogP2.72
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide (CID 46950870) is N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide is CCOCCCNC(=O)CN1CCCC(c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide?
The InChIKey is GTYSEBNXUVPXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-4-31-10-6-8-24-22(30)15-28-9-5-7-18(14-28)23-19(20-11-17(3)27-32-20)13-25-21-12-16(2)26-29(21)23/h11-13,18H,4-10,14-15H2,1-3H3,(H,24,30).
What are the key properties of N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide?
N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide has a molecular weight of 440.55 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 46950870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).