2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline

C21H26N4 — CID 110459170

IUPAC2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline
SMILESCC(C)(C)n1nc(CCc2ccc3ccccc3n2)c2c1CCNC2
InChIInChI=1S/C21H26N4/c1-21(2,3)25-20-12-13-22-14-17(20)19(24-25)11-10-16-9-8-15-6-4-5-7-18(15)23-16/h4-9,22H,10-14H2,1-3H3
InChIKeyIGUFXYGVYKPYHX-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.62
Rot. Bonds3

About 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline

2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline (PubChem CID 110459170) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline
PubChem CID110459170
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline
SMILESCC(C)(C)n1nc(CCc2ccc3ccccc3n2)c2c1CCNC2
InChIInChI=1S/C21H26N4/c1-21(2,3)25-20-12-13-22-14-17(20)19(24-25)11-10-16-9-8-15-6-4-5-7-18(15)23-16/h4-9,22H,10-14H2,1-3H3
InChIKeyIGUFXYGVYKPYHX-UHFFFAOYSA-N
XLogP3.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline?
The IUPAC name of 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline (CID 110459170) is 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline is CC(C)(C)n1nc(CCc2ccc3ccccc3n2)c2c1CCNC2.
What is the InChIKey of 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline?
The InChIKey is IGUFXYGVYKPYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-21(2,3)25-20-12-13-22-14-17(20)19(24-25)11-10-16-9-8-15-6-4-5-7-18(15)23-16/h4-9,22H,10-14H2,1-3H3.
What are the key properties of 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline?
2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline has a molecular weight of 334.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethyl]quinoline is sourced from PubChem (CID 110459170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).