4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine

C15H16N4O — CID 85472971

IUPAC4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cc(-c2n[nH]c3ccccc23)ccn1
InChIInChI=1S/C15H16N4O/c1-20-9-8-17-14-10-11(6-7-16-14)15-12-4-2-3-5-13(12)18-19-15/h2-7,10H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyHOMUPIBYPSXNNB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.68
Rot. Bonds5

About 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine

4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 85472971) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID85472971
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine
SMILESCOCCNc1cc(-c2n[nH]c3ccccc23)ccn1
InChIInChI=1S/C15H16N4O/c1-20-9-8-17-14-10-11(6-7-16-14)15-12-4-2-3-5-13(12)18-19-15/h2-7,10H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyHOMUPIBYPSXNNB-UHFFFAOYSA-N
XLogP2.68
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine (CID 85472971) is 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine is COCCNc1cc(-c2n[nH]c3ccccc23)ccn1.
What is the InChIKey of 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is HOMUPIBYPSXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-9-8-17-14-10-11(6-7-16-14)15-12-4-2-3-5-13(12)18-19-15/h2-7,10H,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine?
4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 85472971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).