5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine

C17H15N5 — CID 58235240

IUPAC5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCc1nccc(-c2cnn(C)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C17H15N5/c1-12-15(5-3-13-4-6-17(18)20-9-13)16(7-8-19-12)14-10-21-22(2)11-14/h4,6-11H,1-2H3,(H2,18,20)
InChIKeyZHKXYWXUULYZTJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.17
Rot. Bonds1

About 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine

5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine (PubChem CID 58235240) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine
PubChem CID58235240
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCc1nccc(-c2cnn(C)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C17H15N5/c1-12-15(5-3-13-4-6-17(18)20-9-13)16(7-8-19-12)14-10-21-22(2)11-14/h4,6-11H,1-2H3,(H2,18,20)
InChIKeyZHKXYWXUULYZTJ-UHFFFAOYSA-N
XLogP2.17
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine (CID 58235240) is 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine is Cc1nccc(-c2cnn(C)c2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The InChIKey is ZHKXYWXUULYZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-15(5-3-13-4-6-17(18)20-9-13)16(7-8-19-12)14-10-21-22(2)11-14/h4,6-11H,1-2H3,(H2,18,20).
What are the key properties of 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine?
5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-methyl-4-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58235240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).