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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Related Compounds

6-(1-methylpyrazol-4-yl)-1-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]indazole
CID 118930242
(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine
CID 156661933
1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 145392446
6-butan-2-yloxy-1-(2-pyrrolidin-1-yl-4-pyridinyl)indazole
CID 145028092
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine;1-methyl-4-(4-prop-2-enyl-2-pyridinyl)piperazine
CID 145392531
1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
CID 174046981
formonitrile;1-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-6-spiro[2.2]pentan-2-ylindazole
CID 142556902
1-(1-methylpyrazol-4-yl)indazole
CID 154050163
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 161061645
4-[4-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]indazol-1-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 156661924
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228

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).