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

C33H38N8O2 — CID 134436314

IUPACN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-piperidin-1-ylacetamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CN4CCCCC4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C33H38N8O2/c1-2-43-28-18-29(32-26(20-34)22-37-41(32)23-28)25-9-10-30(36-21-25)40-16-11-33(12-17-40,19-27-8-4-5-13-35-27)38-31(42)24-39-14-6-3-7-15-39/h4-5,8-10,13,18,21-23H,2-3,6-7,11-12,14-17,19,24H2,1H3,(H,38,42)
InChIKeyYNKSGQSLLUWIKP-UHFFFAOYSA-N
MW578.72 g/mol
LogP4.25
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-piperidin-1-ylacetamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-piperidin-1-ylacetamide (PubChem CID 134436314) has the molecular formula C33H38N8O2 and a molecular weight of 578.72 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-piperidin-1-ylacetamide.

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-piperidin-1-ylacetamide
PubChem CID134436314
Molecular FormulaC33H38N8O2
Molecular Weight578.72 g/mol
Exact Mass578.31
IUPAC NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-piperidin-1-ylacetamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CN4CCCCC4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C33H38N8O2/c1-2-43-28-18-29(32-26(20-34)22-37-41(32)23-28)25-9-10-30(36-21-25)40-16-11-33(12-17-40,19-27-8-4-5-13-35-27)38-31(42)24-39-14-6-3-7-15-39/h4-5,8-10,13,18,21-23H,2-3,6-7,11-12,14-17,19,24H2,1H3,(H,38,42)
InChIKeyYNKSGQSLLUWIKP-UHFFFAOYSA-N
XLogP4.25
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.72
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-piperidin-1-ylacetamide 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-piperidin-1-ylacetamide?
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-piperidin-1-ylacetamide (CID 134436314) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-piperidin-1-ylacetamide.
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-piperidin-1-ylacetamide?
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-piperidin-1-ylacetamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CN4CCCCC4)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-piperidin-1-ylacetamide?
The InChIKey is YNKSGQSLLUWIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O2/c1-2-43-28-18-29(32-26(20-34)22-37-41(32)23-28)25-9-10-30(36-21-25)40-16-11-33(12-17-40,19-27-8-4-5-13-35-27)38-31(42)24-39-14-6-3-7-15-39/h4-5,8-10,13,18,21-23H,2-3,6-7,11-12,14-17,19,24H2,1H3,(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-piperidin-1-ylacetamide?
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-piperidin-1-ylacetamide has a molecular weight of 578.72 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 9 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-piperidin-1-ylacetamide is sourced from PubChem (CID 134436314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).