2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C16H22N6O — CID 126429176

IUPAC2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H22N6O/c23-16(21-6-3-14-15(9-21)19-11-18-14)10-22-7-4-13(20-22)12-2-1-5-17-8-12/h4,7,11-12,17H,1-3,5-6,8-10H2,(H,18,19)/t12-/m1/s1
InChIKeyUBDWSXDPTKCNDD-GFCCVEGCSA-N
MW314.39 g/mol
LogP0.66
Rot. Bonds3

About 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 126429176) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID126429176
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H22N6O/c23-16(21-6-3-14-15(9-21)19-11-18-14)10-22-7-4-13(20-22)12-2-1-5-17-8-12/h4,7,11-12,17H,1-3,5-6,8-10H2,(H,18,19)/t12-/m1/s1
InChIKeyUBDWSXDPTKCNDD-GFCCVEGCSA-N
XLogP0.66
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 126429176) is 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is UBDWSXDPTKCNDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O/c23-16(21-6-3-14-15(9-21)19-11-18-14)10-22-7-4-13(20-22)12-2-1-5-17-8-12/h4,7,11-12,17H,1-3,5-6,8-10H2,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 314.39 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 126429176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).