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

C21H23FN8 — CID 71255025

IUPAC3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine
SMILESFCCn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H23FN8/c22-5-9-30-14-15(12-25-30)18-11-16-19(13-24-18)27-28-21(16)17-3-1-4-20(26-17)29-8-2-6-23-7-10-29/h1,3-4,11-14,23H,2,5-10H2,(H,27,28)
InChIKeyDLZIZKARHRLIHL-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.65
Rot. Bonds5

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

3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71255025) has the molecular formula C21H23FN8 and a molecular weight of 406.47 g/mol. Its IUPAC name is 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID71255025
Molecular FormulaC21H23FN8
Molecular Weight406.47 g/mol
Exact Mass406.20
IUPAC Name3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine
SMILESFCCn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H23FN8/c22-5-9-30-14-15(12-25-30)18-11-16-19(13-24-18)27-28-21(16)17-3-1-4-20(26-17)29-8-2-6-23-7-10-29/h1,3-4,11-14,23H,2,5-10H2,(H,27,28)
InChIKeyDLZIZKARHRLIHL-UHFFFAOYSA-N
XLogP2.65
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
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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Related Compounds

5-(1-ethylpyrazol-4-yl)-3-[6-(6-fluoro-1,4-diazepan-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253758
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253573
(3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 71253777
3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253745
5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71263066
1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-ol
CID 71253412
1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine
CID 71253632
3-methyl-1-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]imidazolidine-2,4-dione
CID 71254349
(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71253468
3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 123803417
2-[4-[1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]pyrazol-1-yl]acetonitrile
CID 86707053
5-(1-ethylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253332

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine (CID 71255025) is 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine is FCCn1cc(-c2cc3c(-c4cccc(N5CCCNCC5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is DLZIZKARHRLIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8/c22-5-9-30-14-15(12-25-30)18-11-16-19(13-24-18)27-28-21(16)17-3-1-4-20(26-17)29-8-2-6-23-7-10-29/h1,3-4,11-14,23H,2,5-10H2,(H,27,28).
What are the key properties of 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine?
3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 406.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-[1-(2-fluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71255025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).