cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C17H24N4O3 — CID 46079242

IUPACcyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCC1CN(C(=O)c2n[nH]c3c2CN(C(=O)C2CC2)CC3)CC(C)O1
InChIInChI=1S/C17H24N4O3/c1-10-7-21(8-11(2)24-10)17(23)15-13-9-20(16(22)12-3-4-12)6-5-14(13)18-19-15/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyUWWIHMZRQBMAHU-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.95
Rot. Bonds2

About cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone

cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 46079242) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID46079242
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Namecyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCC1CN(C(=O)c2n[nH]c3c2CN(C(=O)C2CC2)CC3)CC(C)O1
InChIInChI=1S/C17H24N4O3/c1-10-7-21(8-11(2)24-10)17(23)15-13-9-20(16(22)12-3-4-12)6-5-14(13)18-19-15/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyUWWIHMZRQBMAHU-UHFFFAOYSA-N
XLogP0.95
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 46079242) is cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is CC1CN(C(=O)c2n[nH]c3c2CN(C(=O)C2CC2)CC3)CC(C)O1.
What is the InChIKey of cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is UWWIHMZRQBMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-10-7-21(8-11(2)24-10)17(23)15-13-9-20(16(22)12-3-4-12)6-5-14(13)18-19-15/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(2,6-dimethylmorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 46079242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).