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

C28H28N6O2 — CID 134436083

IUPAC1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(C)(C(=O)Nc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H28N6O2/c1-3-36-23-15-24(26-21(16-29)18-31-34(26)19-23)20-9-10-25(30-17-20)33-13-11-28(2,12-14-33)27(35)32-22-7-5-4-6-8-22/h4-10,15,17-19H,3,11-14H2,1-2H3,(H,32,35)
InChIKeyBDAMEZKAEHEYAI-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.91
Rot. Bonds6

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

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide (PubChem CID 134436083) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide
PubChem CID134436083
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(C)(C(=O)Nc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H28N6O2/c1-3-36-23-15-24(26-21(16-29)18-31-34(26)19-23)20-9-10-25(30-17-20)33-13-11-28(2,12-14-33)27(35)32-22-7-5-4-6-8-22/h4-10,15,17-19H,3,11-14H2,1-2H3,(H,32,35)
InChIKeyBDAMEZKAEHEYAI-UHFFFAOYSA-N
XLogP4.91
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.91
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-methyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide (CID 134436083) is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-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-methyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide is CCOc1cc(-c2ccc(N3CCC(C)(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-methyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is BDAMEZKAEHEYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-3-36-23-15-24(26-21(16-29)18-31-34(26)19-23)20-9-10-25(30-17-20)33-13-11-28(2,12-14-33)27(35)32-22-7-5-4-6-8-22/h4-10,15,17-19H,3,11-14H2,1-2H3,(H,32,35).
What are the key properties of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide?
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.91, 6 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-methyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 134436083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).