5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C21H23FN8 — CID 71253758

IUPAC5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc(-c2cc3c(-c4cccc(N5CCNCC(F)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H23FN8/c1-2-30-12-14(9-25-30)18-8-16-19(11-24-18)27-28-21(16)17-4-3-5-20(26-17)29-7-6-23-10-15(22)13-29/h3-5,8-9,11-12,15,23H,2,6-7,10,13H2,1H3,(H,27,28)
InChIKeyRVDMLVBMTHFTNU-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.65
Rot. Bonds4

About 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71253758) has the molecular formula C21H23FN8 and a molecular weight of 406.47 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID71253758
Molecular FormulaC21H23FN8
Molecular Weight406.47 g/mol
Exact Mass406.20
IUPAC Name5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc(-c2cc3c(-c4cccc(N5CCNCC(F)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H23FN8/c1-2-30-12-14(9-25-30)18-8-16-19(11-24-18)27-28-21(16)17-4-3-5-20(26-17)29-7-6-23-10-15(22)13-29/h3-5,8-9,11-12,15,23H,2,6-7,10,13H2,1H3,(H,27,28)
InChIKeyRVDMLVBMTHFTNU-UHFFFAOYSA-N
XLogP2.65
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 71253758) is 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is CCn1cc(-c2cc3c(-c4cccc(N5CCNCC(F)C5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is RVDMLVBMTHFTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8/c1-2-30-12-14(9-25-30)18-8-16-19(11-24-18)27-28-21(16)17-4-3-5-20(26-17)29-7-6-23-10-15(22)13-29/h3-5,8-9,11-12,15,23H,2,6-7,10,13H2,1H3,(H,27,28).
What are the key properties of 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 406.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).