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

C32H33N9O2 — CID 134434881

IUPACN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)Cc4nccn4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C32H33N9O2/c1-3-43-26-16-27(31-24(19-33)21-37-41(31)22-26)23-7-8-28(36-20-23)40-13-9-32(10-14-40,18-25-6-4-5-11-34-25)38-30(42)17-29-35-12-15-39(29)2/h4-8,11-12,15-16,20-22H,3,9-10,13-14,17-18H2,1-2H3,(H,38,42)
InChIKeyVAGVGSVOYGJBAI-UHFFFAOYSA-N
MW575.68 g/mol
LogP3.74
Rot. Bonds9

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 134434881) has the molecular formula C32H33N9O2 and a molecular weight of 575.68 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide
PubChem CID134434881
Molecular FormulaC32H33N9O2
Molecular Weight575.68 g/mol
Exact Mass575.28
IUPAC NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)Cc4nccn4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C32H33N9O2/c1-3-43-26-16-27(31-24(19-33)21-37-41(31)22-26)23-7-8-28(36-20-23)40-13-9-32(10-14-40,18-25-6-4-5-11-34-25)38-30(42)17-29-35-12-15-39(29)2/h4-8,11-12,15-16,20-22H,3,9-10,13-14,17-18H2,1-2H3,(H,38,42)
InChIKeyVAGVGSVOYGJBAI-UHFFFAOYSA-N
XLogP3.74
TPSA126.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.68
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide (CID 134434881) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)Cc4nccn4C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is VAGVGSVOYGJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N9O2/c1-3-43-26-16-27(31-24(19-33)21-37-41(31)22-26)23-7-8-28(36-20-23)40-13-9-32(10-14-40,18-25-6-4-5-11-34-25)38-30(42)17-29-35-12-15-39(29)2/h4-8,11-12,15-16,20-22H,3,9-10,13-14,17-18H2,1-2H3,(H,38,42).
What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide?
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 575.68 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 134434881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).