1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide

C29H30N6O2 — CID 134436326

IUPAC1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(CC)(C(=O)Nc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H30N6O2/c1-3-29(28(36)33-23-8-6-5-7-9-23)12-14-34(15-13-29)26-11-10-21(18-31-26)25-16-24(37-4-2)20-35-27(25)22(17-30)19-32-35/h5-11,16,18-20H,3-4,12-15H2,1-2H3,(H,33,36)
InChIKeyWJJVCTKLKYXVCB-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.30
Rot. Bonds7

About 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide (PubChem CID 134436326) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide
PubChem CID134436326
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(CC)(C(=O)Nc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H30N6O2/c1-3-29(28(36)33-23-8-6-5-7-9-23)12-14-34(15-13-29)26-11-10-21(18-31-26)25-16-24(37-4-2)20-35-27(25)22(17-30)19-32-35/h5-11,16,18-20H,3-4,12-15H2,1-2H3,(H,33,36)
InChIKeyWJJVCTKLKYXVCB-UHFFFAOYSA-N
XLogP5.30
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide (CID 134436326) is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide is CCOc1cc(-c2ccc(N3CCC(CC)(C(=O)Nc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is WJJVCTKLKYXVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-3-29(28(36)33-23-8-6-5-7-9-23)12-14-34(15-13-29)26-11-10-21(18-31-26)25-16-24(37-4-2)20-35-27(25)22(17-30)19-32-35/h5-11,16,18-20H,3-4,12-15H2,1-2H3,(H,33,36).
What are the key properties of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide?
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 134436326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).