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

C22H26N8 — CID 72715377

IUPAC1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
SMILESCC[C@@H]1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC)c5)cc43)n2)CCN1
InChIInChI=1S/C22H26N8/c1-3-18-15-28(9-8-23-18)21-6-5-7-22(27-21)30-20-10-19(24-11-16(20)12-26-30)17-13-25-29(4-2)14-17/h5-7,10-14,18,23H,3-4,8-9,15H2,1-2H3/t18-/m1/s1
InChIKeySNCXKOCIPWPVQA-GOSISDBHSA-N
MW402.51 g/mol
LogP2.89
Rot. Bonds5

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

1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine (PubChem CID 72715377) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
PubChem CID72715377
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
SMILESCC[C@@H]1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC)c5)cc43)n2)CCN1
InChIInChI=1S/C22H26N8/c1-3-18-15-28(9-8-23-18)21-6-5-7-22(27-21)30-20-10-19(24-11-16(20)12-26-30)17-13-25-29(4-2)14-17/h5-7,10-14,18,23H,3-4,8-9,15H2,1-2H3/t18-/m1/s1
InChIKeySNCXKOCIPWPVQA-GOSISDBHSA-N
XLogP2.89
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine (CID 72715377) is 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine is CC[C@@H]1CN(c2cccc(-n3ncc4cnc(-c5cnn(CC)c5)cc43)n2)CCN1.
What is the InChIKey of 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is SNCXKOCIPWPVQA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N8/c1-3-18-15-28(9-8-23-18)21-6-5-7-22(27-21)30-20-10-19(24-11-16(20)12-26-30)17-13-25-29(4-2)14-17/h5-7,10-14,18,23H,3-4,8-9,15H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine?
1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 402.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3R)-3-ethylpiperazin-1-yl]-2-pyridinyl]-6-(1-ethylpyrazol-4-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72715377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).