1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole

C20H25N5O — CID 118930223

IUPAC1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C20H25N5O/c1-15(2)26-18-5-4-16-14-22-25(19(16)13-18)17-6-7-21-20(12-17)24-10-8-23(3)9-11-24/h4-7,12-15H,8-11H2,1-3H3
InChIKeyACPKZLZLHDQUPS-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.96
Rot. Bonds4

About 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole (PubChem CID 118930223) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole
PubChem CID118930223
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C20H25N5O/c1-15(2)26-18-5-4-16-14-22-25(19(16)13-18)17-6-7-21-20(12-17)24-10-8-23(3)9-11-24/h4-7,12-15H,8-11H2,1-3H3
InChIKeyACPKZLZLHDQUPS-UHFFFAOYSA-N
XLogP2.96
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole (CID 118930223) is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole is CC(C)Oc1ccc2cnn(-c3ccnc(N4CCN(C)CC4)c3)c2c1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole?
The InChIKey is ACPKZLZLHDQUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15(2)26-18-5-4-16-14-22-25(19(16)13-18)17-6-7-21-20(12-17)24-10-8-23(3)9-11-24/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole?
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole has a molecular weight of 351.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxyindazole is sourced from PubChem (CID 118930223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).