5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C17H30N4 — CID 99932735

IUPAC5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCC[C@H](CN2CCc3[nH]nc(C(C)C)c3C2)C1
InChIInChI=1S/C17H30N4/c1-4-20-8-5-6-14(10-20)11-21-9-7-16-15(12-21)17(13(2)3)19-18-16/h13-14H,4-12H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyPGKFBXWBVZKJJJ-AWEZNQCLSA-N
MW290.45 g/mol
LogP2.62
Rot. Bonds4

About 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 99932735) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID99932735
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCC[C@H](CN2CCc3[nH]nc(C(C)C)c3C2)C1
InChIInChI=1S/C17H30N4/c1-4-20-8-5-6-14(10-20)11-21-9-7-16-15(12-21)17(13(2)3)19-18-16/h13-14H,4-12H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyPGKFBXWBVZKJJJ-AWEZNQCLSA-N
XLogP2.62
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 99932735) is 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCN1CCC[C@H](CN2CCc3[nH]nc(C(C)C)c3C2)C1.
What is the InChIKey of 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is PGKFBXWBVZKJJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-20-8-5-6-14(10-20)11-21-9-7-16-15(12-21)17(13(2)3)19-18-16/h13-14H,4-12H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 290.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-1-ethylpiperidin-3-yl]methyl]-3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 99932735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).