6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine

C21H24N8 — CID 72715213

IUPAC6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine
SMILESCCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCN[C@@H](C)C3)n2)cn1
InChIInChI=1S/C21H24N8/c1-3-28-14-17(12-24-28)18-9-19-16(10-23-18)11-25-29(19)21-6-4-5-20(26-21)27-8-7-22-15(2)13-27/h4-6,9-12,14-15,22H,3,7-8,13H2,1-2H3/t15-/m0/s1
InChIKeyJVWOWDAKPHFJQW-HNNXBMFYSA-N
MW388.48 g/mol
LogP2.50
Rot. Bonds4

About 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine

6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine (PubChem CID 72715213) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine
PubChem CID72715213
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine
SMILESCCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCN[C@@H](C)C3)n2)cn1
InChIInChI=1S/C21H24N8/c1-3-28-14-17(12-24-28)18-9-19-16(10-23-18)11-25-29(19)21-6-4-5-20(26-21)27-8-7-22-15(2)13-27/h4-6,9-12,14-15,22H,3,7-8,13H2,1-2H3/t15-/m0/s1
InChIKeyJVWOWDAKPHFJQW-HNNXBMFYSA-N
XLogP2.50
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 25195294
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CID 70984064
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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine (CID 72715213) is 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine is CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCN[C@@H](C)C3)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine?
The InChIKey is JVWOWDAKPHFJQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N8/c1-3-28-14-17(12-24-28)18-9-19-16(10-23-18)11-25-29(19)21-6-4-5-20(26-21)27-8-7-22-15(2)13-27/h4-6,9-12,14-15,22H,3,7-8,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine?
6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine has a molecular weight of 388.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72715213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).