2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide

C21H19N5O — CID 155883753

IUPAC2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide
SMILESCn1nc(C(Cc2ccccc2)C(N)=O)c2ccc(-c3cncnc3)cc21
InChIInChI=1S/C21H19N5O/c1-26-19-10-15(16-11-23-13-24-12-16)7-8-17(19)20(25-26)18(21(22)27)9-14-5-3-2-4-6-14/h2-8,10-13,18H,9H2,1H3,(H2,22,27)
InChIKeyPJVLOIATHCJTIM-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.84
Rot. Bonds5

About 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide

2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide (PubChem CID 155883753) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide
PubChem CID155883753
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide
SMILESCn1nc(C(Cc2ccccc2)C(N)=O)c2ccc(-c3cncnc3)cc21
InChIInChI=1S/C21H19N5O/c1-26-19-10-15(16-11-23-13-24-12-16)7-8-17(19)20(25-26)18(21(22)27)9-14-5-3-2-4-6-14/h2-8,10-13,18H,9H2,1H3,(H2,22,27)
InChIKeyPJVLOIATHCJTIM-UHFFFAOYSA-N
XLogP2.84
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide (CID 155883753) is 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide is Cn1nc(C(Cc2ccccc2)C(N)=O)c2ccc(-c3cncnc3)cc21.
What is the InChIKey of 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide?
The InChIKey is PJVLOIATHCJTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-26-19-10-15(16-11-23-13-24-12-16)7-8-17(19)20(25-26)18(21(22)27)9-14-5-3-2-4-6-14/h2-8,10-13,18H,9H2,1H3,(H2,22,27).
What are the key properties of 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide?
2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide has a molecular weight of 357.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-6-pyrimidin-5-ylindazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 155883753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).