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

C34H39FN8O2 — CID 134435842

IUPACN-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]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(OCCN4CCN(C)CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C34H39FN8O2/c1-24-4-6-27(35)18-29(24)33(44)39-34(2)8-10-42(11-9-34)31-7-5-25(21-37-31)30-19-28(23-43-32(30)26(20-36)22-38-43)45-17-16-41-14-12-40(3)13-15-41/h4-7,18-19,21-23H,8-17H2,1-3H3,(H,39,44)
InChIKeyGDBQDGRCUYXWAL-UHFFFAOYSA-N
MW610.74 g/mol
LogP4.13
Rot. Bonds8

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

N-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134435842) has the molecular formula C34H39FN8O2 and a molecular weight of 610.74 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]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-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
PubChem CID134435842
Molecular FormulaC34H39FN8O2
Molecular Weight610.74 g/mol
Exact Mass610.32
IUPAC NameN-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]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(OCCN4CCN(C)CC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C34H39FN8O2/c1-24-4-6-27(35)18-29(24)33(44)39-34(2)8-10-42(11-9-34)31-7-5-25(21-37-31)30-19-28(23-43-32(30)26(20-36)22-38-43)45-17-16-41-14-12-40(3)13-15-41/h4-7,18-19,21-23H,8-17H2,1-3H3,(H,39,44)
InChIKeyGDBQDGRCUYXWAL-UHFFFAOYSA-N
XLogP4.13
TPSA102.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]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-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 134435842) is N-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]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-(4-methylpiperazin-1-yl)ethoxy]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-(4-methylpiperazin-1-yl)ethoxy]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(OCCN4CCN(C)CC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of N-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is GDBQDGRCUYXWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39FN8O2/c1-24-4-6-27(35)18-29(24)33(44)39-34(2)8-10-42(11-9-34)31-7-5-25(21-37-31)30-19-28(23-43-32(30)26(20-36)22-38-43)45-17-16-41-14-12-40(3)13-15-41/h4-7,18-19,21-23H,8-17H2,1-3H3,(H,39,44).
What are the key properties of N-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
N-[1-[5-[3-cyano-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 610.74 g/mol, XLogP of 4.13, 8 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-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134435842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).