N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide

C30H32N6O3 — CID 134434602

IUPACN-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(C(=O)NCc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H32N6O3/c1-30(2,38)20-39-25-14-26(28-24(15-31)18-34-36(28)19-25)23-8-9-27(32-17-23)35-12-10-22(11-13-35)29(37)33-16-21-6-4-3-5-7-21/h3-9,14,17-19,22,38H,10-13,16,20H2,1-2H3,(H,33,37)
InChIKeyFJOCEHPSTUSCCZ-UHFFFAOYSA-N
MW524.63 g/mol
LogP3.95
Rot. Bonds8

About N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide

N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 134434602) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID134434602
Molecular FormulaC30H32N6O3
Molecular Weight524.63 g/mol
Exact Mass524.25
IUPAC NameN-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(C(=O)NCc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H32N6O3/c1-30(2,38)20-39-25-14-26(28-24(15-31)18-34-36(28)19-25)23-8-9-27(32-17-23)35-12-10-22(11-13-35)29(37)33-16-21-6-4-3-5-7-21/h3-9,14,17-19,22,38H,10-13,16,20H2,1-2H3,(H,33,37)
InChIKeyFJOCEHPSTUSCCZ-UHFFFAOYSA-N
XLogP3.95
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 134434602) is N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide is CC(C)(O)COc1cc(-c2ccc(N3CCC(C(=O)NCc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is FJOCEHPSTUSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-30(2,38)20-39-25-14-26(28-24(15-31)18-34-36(28)19-25)23-8-9-27(32-17-23)35-12-10-22(11-13-35)29(37)33-16-21-6-4-3-5-7-21/h3-9,14,17-19,22,38H,10-13,16,20H2,1-2H3,(H,33,37).
What are the key properties of N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide?
N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 134434602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).