1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine

C21H23FN8 — CID 71253632

IUPAC1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine
SMILESCCn1cc(-c2cc3c(-c4cccc(N5CCC(F)C(N)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H23FN8/c1-2-30-11-13(9-25-30)18-8-14-19(10-24-18)27-28-21(14)17-4-3-5-20(26-17)29-7-6-15(22)16(23)12-29/h3-5,8-11,15-16H,2,6-7,12,23H2,1H3,(H,27,28)
InChIKeyBUCZZJIVGARTQA-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.78
Rot. Bonds4

About 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine

1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine (PubChem CID 71253632) has the molecular formula C21H23FN8 and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine.

Molecular Properties

Compound Name1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine
PubChem CID71253632
Molecular FormulaC21H23FN8
Molecular Weight406.47 g/mol
Exact Mass406.20
IUPAC Name1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine
SMILESCCn1cc(-c2cc3c(-c4cccc(N5CCC(F)C(N)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H23FN8/c1-2-30-11-13(9-25-30)18-8-14-19(10-24-18)27-28-21(14)17-4-3-5-20(26-17)29-7-6-15(22)16(23)12-29/h3-5,8-11,15-16H,2,6-7,12,23H2,1H3,(H,27,28)
InChIKeyBUCZZJIVGARTQA-UHFFFAOYSA-N
XLogP2.78
TPSA101.54 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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine?
The IUPAC name of 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine (CID 71253632) is 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine.
What is the SMILES notation for 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine?
The canonical SMILES for 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine is CCn1cc(-c2cc3c(-c4cccc(N5CCC(F)C(N)C5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine?
The InChIKey is BUCZZJIVGARTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8/c1-2-30-11-13(9-25-30)18-8-14-19(10-24-18)27-28-21(14)17-4-3-5-20(26-17)29-7-6-15(22)16(23)12-29/h3-5,8-11,15-16H,2,6-7,12,23H2,1H3,(H,27,28).
What are the key properties of 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine?
1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine has a molecular weight of 406.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine is sourced from PubChem (CID 71253632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).