1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine

C18H18N6 — CID 118664654

IUPAC1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCC(N)c1cccc(-c2ccc3cnn(-c4ccn(C)n4)c3c2)n1
InChIInChI=1S/C18H18N6/c1-12(19)15-4-3-5-16(21-15)13-6-7-14-11-20-24(17(14)10-13)18-8-9-23(2)22-18/h3-12H,19H2,1-2H3
InChIKeyAMJUUMQANLYSLI-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.84
Rot. Bonds3

About 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine

1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118664654) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118664654
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCC(N)c1cccc(-c2ccc3cnn(-c4ccn(C)n4)c3c2)n1
InChIInChI=1S/C18H18N6/c1-12(19)15-4-3-5-16(21-15)13-6-7-14-11-20-24(17(14)10-13)18-8-9-23(2)22-18/h3-12H,19H2,1-2H3
InChIKeyAMJUUMQANLYSLI-UHFFFAOYSA-N
XLogP2.84
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine (CID 118664654) is 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine is CC(N)c1cccc(-c2ccc3cnn(-c4ccn(C)n4)c3c2)n1.
What is the InChIKey of 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is AMJUUMQANLYSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-12(19)15-4-3-5-16(21-15)13-6-7-14-11-20-24(17(14)10-13)18-8-9-23(2)22-18/h3-12H,19H2,1-2H3.
What are the key properties of 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 318.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118664654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).