5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H26N4 — CID 164629903

IUPAC5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCc1n[nH]c2c1CN(CCN1C[C@@H]3CC[C@H]1C3)CC2
InChIInChI=1S/C16H26N4/c1-2-15-14-11-19(6-5-16(14)18-17-15)7-8-20-10-12-3-4-13(20)9-12/h12-13H,2-11H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyYLSJYGJHZXTWPD-OLZOCXBDSA-N
MW274.41 g/mol
LogP1.81
Rot. Bonds4

About 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 164629903) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID164629903
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCc1n[nH]c2c1CN(CCN1C[C@@H]3CC[C@H]1C3)CC2
InChIInChI=1S/C16H26N4/c1-2-15-14-11-19(6-5-16(14)18-17-15)7-8-20-10-12-3-4-13(20)9-12/h12-13H,2-11H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyYLSJYGJHZXTWPD-OLZOCXBDSA-N
XLogP1.81
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 99932735
3-(1-Fluoroethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 68383779
3-Propan-2-yl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118489305
3-Propan-2-yl-6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118489366
3-Ethyl-6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118493385
4-Fluoro-6-methyl-3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 171531547
1-Methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine
CID 143767055
5-(2-Piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 154795197
3-{[3-(fluoromethyl)piperidin-1-yl]methyl}-4,5,6,7-tetrahydro-1H-indazole
CID 163343444
3-cyclopropyl-5-(2-ethylhexyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 46999232
3-ethyl-5-[2-(4-methylpiperazin-1-yl)propanoyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 121511779
5-ethyl-3-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
CID 53215317

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 164629903) is 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCc1n[nH]c2c1CN(CCN1C[C@@H]3CC[C@H]1C3)CC2.
What is the InChIKey of 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is YLSJYGJHZXTWPD-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-15-14-11-19(6-5-16(14)18-17-15)7-8-20-10-12-3-4-13(20)9-12/h12-13H,2-11H2,1H3,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 274.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 164629903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).