4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine

C17H30N4O — CID 82586965

IUPAC4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine
SMILESCC(C)(C)c1nn(CCCN2CCOCC2)c2c1CNCC2
InChIInChI=1S/C17H30N4O/c1-17(2,3)16-14-13-18-6-5-15(14)21(19-16)8-4-7-20-9-11-22-12-10-20/h18H,4-13H2,1-3H3
InChIKeyRVSNBBZAXLKMKO-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.55
Rot. Bonds4

About 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine

4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine (PubChem CID 82586965) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine
PubChem CID82586965
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine
SMILESCC(C)(C)c1nn(CCCN2CCOCC2)c2c1CNCC2
InChIInChI=1S/C17H30N4O/c1-17(2,3)16-14-13-18-6-5-15(14)21(19-16)8-4-7-20-9-11-22-12-10-20/h18H,4-13H2,1-3H3
InChIKeyRVSNBBZAXLKMKO-UHFFFAOYSA-N
XLogP1.55
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine (CID 82586965) is 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine is CC(C)(C)c1nn(CCCN2CCOCC2)c2c1CNCC2.
What is the InChIKey of 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine?
The InChIKey is RVSNBBZAXLKMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-17(2,3)16-14-13-18-6-5-15(14)21(19-16)8-4-7-20-9-11-22-12-10-20/h18H,4-13H2,1-3H3.
What are the key properties of 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine?
4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine has a molecular weight of 306.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl]morpholine is sourced from PubChem (CID 82586965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).