1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C24H23FN6O2 — CID 134329214

IUPAC1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCOc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C(C)=O)CC4)nc3)n[nH]c2cn1
InChIInChI=1S/C24H23FN6O2/c1-15(32)30-8-10-31(11-9-30)22-7-6-16(13-27-22)24-17-12-19(26-14-20(17)28-29-24)23-18(25)4-3-5-21(23)33-2/h3-7,12-14H,8-11H2,1-2H3,(H,28,29)
InChIKeyCEWGEAVPZLKDHM-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.50
Rot. Bonds4

About 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 134329214) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID134329214
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCOc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C(C)=O)CC4)nc3)n[nH]c2cn1
InChIInChI=1S/C24H23FN6O2/c1-15(32)30-8-10-31(11-9-30)22-7-6-16(13-27-22)24-17-12-19(26-14-20(17)28-29-24)23-18(25)4-3-5-21(23)33-2/h3-7,12-14H,8-11H2,1-2H3,(H,28,29)
InChIKeyCEWGEAVPZLKDHM-UHFFFAOYSA-N
XLogP3.50
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 134329214) is 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is COc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C(C)=O)CC4)nc3)n[nH]c2cn1.
What is the InChIKey of 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is CEWGEAVPZLKDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-15(32)30-8-10-31(11-9-30)22-7-6-16(13-27-22)24-17-12-19(26-14-20(17)28-29-24)23-18(25)4-3-5-21(23)33-2/h3-7,12-14H,8-11H2,1-2H3,(H,28,29).
What are the key properties of 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 446.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134329214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).