1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole

C21H23N7 — CID 118930220

IUPAC1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
SMILESCN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1
InChIInChI=1S/C21H23N7/c1-25-7-9-27(10-8-25)21-12-19(5-6-22-21)28-20-11-16(3-4-17(20)13-24-28)18-14-23-26(2)15-18/h3-6,11-15H,7-10H2,1-2H3
InChIKeyPHGYGMZASSMSHY-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.57
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole (PubChem CID 118930220) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
PubChem CID118930220
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
SMILESCN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1
InChIInChI=1S/C21H23N7/c1-25-7-9-27(10-8-25)21-12-19(5-6-22-21)28-20-11-16(3-4-17(20)13-24-28)18-14-23-26(2)15-18/h3-6,11-15H,7-10H2,1-2H3
InChIKeyPHGYGMZASSMSHY-UHFFFAOYSA-N
XLogP2.57
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole (CID 118930220) is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole is CN1CCN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
The InChIKey is PHGYGMZASSMSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-25-7-9-27(10-8-25)21-12-19(5-6-22-21)28-20-11-16(3-4-17(20)13-24-28)18-14-23-26(2)15-18/h3-6,11-15H,7-10H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole?
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole has a molecular weight of 373.46 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole is sourced from PubChem (CID 118930220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).