N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide

C29H30N6O2 — CID 134435266

IUPACN-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccc4)(NC(C)=O)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H30N6O2/c1-3-37-25-15-26(28-24(17-30)19-32-35(28)20-25)23-9-10-27(31-18-23)34-13-11-29(12-14-34,33-21(2)36)16-22-7-5-4-6-8-22/h4-10,15,18-20H,3,11-14,16H2,1-2H3,(H,33,36)
InChIKeyRKSAPCMZWCOFEL-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.38
Rot. Bonds7

About N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide

N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 134435266) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID134435266
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC NameN-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccc4)(NC(C)=O)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H30N6O2/c1-3-37-25-15-26(28-24(17-30)19-32-35(28)20-25)23-9-10-27(31-18-23)34-13-11-29(12-14-34,33-21(2)36)16-22-7-5-4-6-8-22/h4-10,15,18-20H,3,11-14,16H2,1-2H3,(H,33,36)
InChIKeyRKSAPCMZWCOFEL-UHFFFAOYSA-N
XLogP4.38
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide (CID 134435266) is N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccc4)(NC(C)=O)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is RKSAPCMZWCOFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-3-37-25-15-26(28-24(17-30)19-32-35(28)20-25)23-9-10-27(31-18-23)34-13-11-29(12-14-34,33-21(2)36)16-22-7-5-4-6-8-22/h4-10,15,18-20H,3,11-14,16H2,1-2H3,(H,33,36).
What are the key properties of N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide?
N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 494.60 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134435266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).