2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol

C22H25N7O — CID 118930236

IUPAC2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(CCO)CC5)c4)c3c2)cn1
InChIInChI=1S/C22H25N7O/c1-26-16-19(15-24-26)17-2-3-18-14-25-29(21(18)12-17)20-4-5-23-22(13-20)28-8-6-27(7-9-28)10-11-30/h2-5,12-16,30H,6-11H2,1H3
InChIKeyKDQUAHGFNXIFRC-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol

2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 118930236) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol
PubChem CID118930236
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol
SMILESCn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(CCO)CC5)c4)c3c2)cn1
InChIInChI=1S/C22H25N7O/c1-26-16-19(15-24-26)17-2-3-18-14-25-29(21(18)12-17)20-4-5-23-22(13-20)28-8-6-27(7-9-28)10-11-30/h2-5,12-16,30H,6-11H2,1H3
InChIKeyKDQUAHGFNXIFRC-UHFFFAOYSA-N
XLogP1.94
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol (CID 118930236) is 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol is Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCN(CCO)CC5)c4)c3c2)cn1.
What is the InChIKey of 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is KDQUAHGFNXIFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-26-16-19(15-24-26)17-2-3-18-14-25-29(21(18)12-17)20-4-5-23-22(13-20)28-8-6-27(7-9-28)10-11-30/h2-5,12-16,30H,6-11H2,1H3.
What are the key properties of 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 403.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 118930236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).