1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone

C16H24N4O2 — CID 56911757

IUPAC1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C16H24N4O2/c21-15(8-12-10-22-7-5-17-12)20-6-4-14-13(9-20)16(19-18-14)11-2-1-3-11/h11-12,17H,1-10H2,(H,18,19)
InChIKeyNZCNTKHOYRDUIR-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.94
Rot. Bonds3

About 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone

1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone (PubChem CID 56911757) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone
PubChem CID56911757
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C16H24N4O2/c21-15(8-12-10-22-7-5-17-12)20-6-4-14-13(9-20)16(19-18-14)11-2-1-3-11/h11-12,17H,1-10H2,(H,18,19)
InChIKeyNZCNTKHOYRDUIR-UHFFFAOYSA-N
XLogP0.94
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone (CID 56911757) is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone is O=C(CC1COCCN1)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone?
The InChIKey is NZCNTKHOYRDUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(8-12-10-22-7-5-17-12)20-6-4-14-13(9-20)16(19-18-14)11-2-1-3-11/h11-12,17H,1-10H2,(H,18,19).
What are the key properties of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone?
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 56911757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).