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

C15H24N4O2 — CID 118738770

IUPAC(6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone
SMILESCCC(C)N1CCc2c(C(=O)N3CCOCC3)n[nH]c2C1
InChIInChI=1S/C15H24N4O2/c1-3-11(2)19-5-4-12-13(10-19)16-17-14(12)15(20)18-6-8-21-9-7-18/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyYVGCSMJPSHZTON-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.04
Rot. Bonds3

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

(6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone (PubChem CID 118738770) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone
PubChem CID118738770
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone
SMILESCCC(C)N1CCc2c(C(=O)N3CCOCC3)n[nH]c2C1
InChIInChI=1S/C15H24N4O2/c1-3-11(2)19-5-4-12-13(10-19)16-17-14(12)15(20)18-6-8-21-9-7-18/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyYVGCSMJPSHZTON-UHFFFAOYSA-N
XLogP1.04
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone (CID 118738770) is (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone is CCC(C)N1CCc2c(C(=O)N3CCOCC3)n[nH]c2C1.
What is the InChIKey of (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is YVGCSMJPSHZTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-11(2)19-5-4-12-13(10-19)16-17-14(12)15(20)18-6-8-21-9-7-18/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone?
(6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 292.38 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 118738770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).