N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

C33H37FN8O2 — CID 134435321

IUPACN-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCNCC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C33H37FN8O2/c1-23-3-5-26(34)17-28(23)32(43)39-33(2)7-11-41(12-8-33)30-6-4-24(20-37-30)29-18-27(22-42-31(29)25(19-35)21-38-42)44-16-15-40-13-9-36-10-14-40/h3-6,17-18,20-22,36H,7-16H2,1-2H3,(H,39,43)
InChIKeyGLGCZNDBWWUIOV-UHFFFAOYSA-N
MW596.71 g/mol
LogP3.79
Rot. Bonds8

About N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134435321) has the molecular formula C33H37FN8O2 and a molecular weight of 596.71 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
PubChem CID134435321
Molecular FormulaC33H37FN8O2
Molecular Weight596.71 g/mol
Exact Mass596.30
IUPAC NameN-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCNCC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C33H37FN8O2/c1-23-3-5-26(34)17-28(23)32(43)39-33(2)7-11-41(12-8-33)30-6-4-24(20-37-30)29-18-27(22-42-31(29)25(19-35)21-38-42)44-16-15-40-13-9-36-10-14-40/h3-6,17-18,20-22,36H,7-16H2,1-2H3,(H,39,43)
InChIKeyGLGCZNDBWWUIOV-UHFFFAOYSA-N
XLogP3.79
TPSA110.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.71
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 134435321) is N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCNCC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is GLGCZNDBWWUIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN8O2/c1-23-3-5-26(34)17-28(23)32(43)39-33(2)7-11-41(12-8-33)30-6-4-24(20-37-30)29-18-27(22-42-31(29)25(19-35)21-38-42)44-16-15-40-13-9-36-10-14-40/h3-6,17-18,20-22,36H,7-16H2,1-2H3,(H,39,43).
What are the key properties of N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 596.71 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-cyano-6-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134435321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).