2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile

C20H26N6O — CID 78318142

IUPAC2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile
SMILESCC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H26N6O/c1-13(2)26-19(14-3-5-25(6-4-14)17-11-27-12-17)8-18(24-26)16-7-15(9-21)20(22)23-10-16/h7-8,10,13-14,17H,3-6,11-12H2,1-2H3,(H2,22,23)
InChIKeyQCVKEOAREYXRPH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.56
Rot. Bonds4

About 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile

2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile (PubChem CID 78318142) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile
PubChem CID78318142
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile
SMILESCC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C20H26N6O/c1-13(2)26-19(14-3-5-25(6-4-14)17-11-27-12-17)8-18(24-26)16-7-15(9-21)20(22)23-10-16/h7-8,10,13-14,17H,3-6,11-12H2,1-2H3,(H2,22,23)
InChIKeyQCVKEOAREYXRPH-UHFFFAOYSA-N
XLogP2.56
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile (CID 78318142) is 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile is CC(C)n1nc(-c2cnc(N)c(C#N)c2)cc1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile?
The InChIKey is QCVKEOAREYXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-13(2)26-19(14-3-5-25(6-4-14)17-11-27-12-17)8-18(24-26)16-7-15(9-21)20(22)23-10-16/h7-8,10,13-14,17H,3-6,11-12H2,1-2H3,(H2,22,23).
What are the key properties of 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile?
2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 78318142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).