4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23ClN6O2 — CID 134435354

IUPAC4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(Oc4ccc(Cl)nc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H23ClN6O2/c1-2-33-21-11-22(25-18(12-27)14-30-32(25)16-21)17-3-6-24(29-13-17)31-9-7-19(8-10-31)34-20-4-5-23(26)28-15-20/h3-6,11,13-16,19H,2,7-10H2,1H3
InChIKeyNZLYGVFIEZIBTI-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.76
Rot. Bonds6

About 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435354) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435354
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(Oc4ccc(Cl)nc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H23ClN6O2/c1-2-33-21-11-22(25-18(12-27)14-30-32(25)16-21)17-3-6-24(29-13-17)31-9-7-19(8-10-31)34-20-4-5-23(26)28-15-20/h3-6,11,13-16,19H,2,7-10H2,1H3
InChIKeyNZLYGVFIEZIBTI-UHFFFAOYSA-N
XLogP4.76
TPSA88.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435354) is 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(Oc4ccc(Cl)nc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NZLYGVFIEZIBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c1-2-33-21-11-22(25-18(12-27)14-30-32(25)16-21)17-3-6-24(29-13-17)31-9-7-19(8-10-31)34-20-4-5-23(26)28-15-20/h3-6,11,13-16,19H,2,7-10H2,1H3.
What are the key properties of 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 474.95 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(6-chloro-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).