6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H24N6O2 — CID 146667264

IUPAC6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#Cc1cc(OC2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)ccn1
InChIInChI=1S/C27H24N6O2/c1-3-21-13-23(7-10-29-21)35-22-8-11-32(12-9-22)26-6-5-19(16-30-26)25-14-24(34-4-2)18-33-27(25)20(15-28)17-31-33/h1,5-7,10,13-14,16-18,22H,4,8-9,11-12H2,2H3
InChIKeyCUGGICQHEWVBDA-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.09
Rot. Bonds6

About 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667264) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146667264
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#Cc1cc(OC2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)ccn1
InChIInChI=1S/C27H24N6O2/c1-3-21-13-23(7-10-29-21)35-22-8-11-32(12-9-22)26-6-5-19(16-30-26)25-14-24(34-4-2)18-33-27(25)20(15-28)17-31-33/h1,5-7,10,13-14,16-18,22H,4,8-9,11-12H2,2H3
InChIKeyCUGGICQHEWVBDA-UHFFFAOYSA-N
XLogP4.09
TPSA88.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminoethoxy)-4-[6-[4-[(6-ethynyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667791
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
CID 134435384
4-[6-[4-[5-(azetidin-1-yl)pent-3-ynoxy]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(3-ethynylphenoxy)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
CID 165002931
6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667089
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668359
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
2-[3-cyano-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-N,N-dimethylacetamide
CID 134435867

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667264) is 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#Cc1cc(OC2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)ccn1.
What is the InChIKey of 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CUGGICQHEWVBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-3-21-13-23(7-10-29-21)35-22-8-11-32(12-9-22)26-6-5-19(16-30-26)25-14-24(34-4-2)18-33-27(25)20(15-28)17-31-33/h1,5-7,10,13-14,16-18,22H,4,8-9,11-12H2,2H3.
What are the key properties of 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 464.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[4-[(2-ethynyl-4-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).